8-[(4-chlorophenyl)sulfonyl-methyl-amino]-7-pyridin-3-yl-octanoic acid hydrochloride

Systemtic Name: 8-[(4-chlorophenyl)sulfonyl-methyl-amino]-7-pyridin-3-yl-octanoic acid hydrochloride Openeye Name: 8-[(4-chlorophenyl)sulfonyl-methyl-amino]-7-(3-pyridyl)octanoic acid hydrochloride CAS Name: 8-[(4-chlorophenyl)sulfonyl-methylamino]-7-(3-pyridinyl)octanoic acid hydrochloride IUPAC Name: 8-[(4-chlorophenyl)sulfonyl-methylamino]-7-pyridin-3-yloctanoic acid hydrochloride Traditional Name: 8-[(4-chlorophenyl)sulfonyl-methyl-amino]-7-(3-pyridyl)caprylic acid hydrochloride Formula: C20H26Cl2N2O4S MolecularWeight: 461.40244

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(CCCCCC(=O)O)C1=CN=CC=C1)S(=O)(=O)C2=CC=C(C=C2)Cl.Cl

Isomeric SMILES

CN(CC(CCCCCC(=O)O)C1=CN=CC=C1)S(=O)(=O)C2=CC=C(C=C2)Cl.Cl

InChI

InChI=1S/C20H25ClN2O4S.ClH/c1-23(28(26,27)19-11-9-18(21)10-12-19)15-17(16-7-5-13-22-14-16)6-3-2-4-8-20(24)25;/h5,7,9-14,17H,2-4,6,8,15H2,1H3,(H,24,25);1H