methyl 8-(phenylsulfonylamino)-7-pyridin-3-yl-octanoate hydrochloride

Systemtic Name: methyl 8-(phenylsulfonylamino)-7-pyridin-3-yl-octanoate hydrochloride Openeye Name: methyl 8-(benzenesulfonamido)-7-(3-pyridyl)octanoate hydrochloride CAS Name: 8-(benzenesulfonamido)-7-(3-pyridinyl)octanoic acid methyl ester hydrochloride IUPAC Name: methyl 8-(benzenesulfonamido)-7-pyridin-3-yloctanoate hydrochloride Traditional Name: 8-(benzenesulfonamido)-7-(3-pyridyl)caprylic acid methyl ester hydrochloride Formula: C20H27ClN2O4S MolecularWeight: 426.95738

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCC(CNS(=O)(=O)C1=CC=CC=C1)C2=CN=CC=C2.Cl

Isomeric SMILES

COC(=O)CCCCCC(CNS(=O)(=O)C1=CC=CC=C1)C2=CN=CC=C2.Cl

InChI

InChI=1S/C20H26N2O4S.ClH/c1-26-20(23)13-7-2-4-9-18(17-10-8-14-21-15-17)16-22-27(24,25)19-11-5-3-6-12-19;/h3,5-6,8,10-12,14-15,18,22H,2,4,7,9,13,16H2,1H3;1H