Allyl[3-(2-nitrobenzenesulfonamido)propyl]carbamate

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Catalog Number
ACM312283457
Product Name
Allyl[3-(2-nitrobenzenesulfonamido)propyl]carbamate
Structure
Structure
CAS
312283-45-7
Category
Heterocyclic Organic Compound
Synonyms
ALLYL [3-(2-NITROBENZENESULFONAMIDO)PROPYL]CARBAMATE;[3-(2-NITROBENZENESULFONAMIDO)PROPYL]CARBAMIC ACID ALLYL ESTER
IUPAC Name
prop-2-enyl N-[3-[(2-nitrophenyl)sulfonylamino]propyl]carbamate
Molecular Weight
343.36g/mol
Molecular Formula
C13H17N3O6S
Canonical SMILES
C=CCOC(=O)NCCCNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]
InChI
InChI=1S/C13H17N3O6S/c1-2-10-22-13(17)14-8-5-9-15-23(20,21)12-7-4-3-6-11(12)16(18)19/h2-4,6-7,15H,1,5,8-10H2,(H,14,17)
InChI Key
INKIDQWOEVNHHA-UHFFFAOYSA-N
Complexity
511
Covalently-Bonded Unit Count
1
Exact Mass
343.083806g/mol
Formal Charge
0
H-Bond Acceptor
7
H-Bond Donor
2
Heavy Atom Count
23
Monoisotopic Mass
343.083806g/mol
Rotatable Bond Count
9
XLogP3
1.4
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