947532-52-7 Purity
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Specification
The molecular formula is C12H19ClN2O3S.
The molecular weight is 306.81 g/mol.
The IUPAC name is 2-methoxy-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride.
The InChI is InChI=1S/C12H18N2O3S.ClH/c1-17-11-6-2-3-7-12(11)18(15,16)14-10-5-4-8-13-9-10;/h2-3,6-7,10,13-14H,4-5,8-9H2,1H3;1H/t10-;/m0./s1.
The InChIKey is INNUURYOUYWCOT-PPHPATTJSA-N.
The canonical SMILES is COC1=CC=CC=C1S(=O)(=O)NC2CCCNC2.Cl.
The parent compound has the molecular formula CID 51900731 (2-methoxy-N-[(3S)-piperidin-3-yl]benzenesulfonamide).
The CAS number is 947532-58-3.
The hydrogen bond donor count is 3.
Yes, it has a defined atom stereocenter count of 1.
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