(S)-5-(3-Benzyl-piperazine-1-sulfonyl)-isoquinoline dihydrochloride

Name: (S)-5-(3-Benzyl-piperazine-1-sulfonyl)-isoquinoline dihydrochloride
SKU: ACM936233033
Rating: 5 (1 reviews)

CAS

936233-03-3

Catalog Number

ACM936233033

Category

Other Products

Molecular Weight

440.38652

Molecular Formula

C₂₀H₂₃Cl₂N₃O₂S

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Specification

Synonyms

(S)-5-(3-Benzyl-piperazine-1-sulfonyl)-isoquinoline dihydrochloride

What is the molecular formula of the compound?

The molecular formula is C20H21N3O2S.

What are the synonyms of the compound?

The synonyms are 936233-03-3, (S)-5-(3-Benzyl-piperazine-1-sulfonyl)-isoquinoline, and (S)-5-(3-Benzyl-piperazine-1-sulfonyl)-isoquinoline dihydrochloride.

What is the molecular weight of the compound?

The molecular weight is 367.5 g/mol.

When was the compound created?

The compound was created on April 27, 2010.

When was the compound last modified?

The compound was last modified on December 30, 2023.

What is the IUPAC name of the compound?

The IUPAC name is 5-[(3S)-3-benzylpiperazin-1-yl]sulfonylisoquinoline.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C20H21N3O2S/c24-26(25,20-8-4-7-17-14-21-10-9-19(17)20)23-12-11-22-18(15-23)13-16-5-2-1-3-6-16/h1-10,14,18,22H,11-13,15H2/t18-/m0/s1.

What is the InChIKey of the compound?

The InChIKey of the compound is NWPLYJKTTNORCR-SFHVURJKSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is C1CN(CC(N1)CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4.

What is the isomeric SMILES of the compound?

The isomeric SMILES is C1CN(C[C@@H](N1)CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4.

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