8-[(4-naphthalen-1-ylphenyl)sulfonylamino]-7-pyridin-3-yl-octanoic acid hydrochloride

Systemtic Name: 8-[(4-naphthalen-1-ylphenyl)sulfonylamino]-7-pyridin-3-yl-octanoic acid hydrochloride Openeye Name: 8-[[4-(1-naphthyl)phenyl]sulfonylamino]-7-(3-pyridyl)octanoic acid hydrochloride CAS Name: 8-[[4-(1-naphthalenyl)phenyl]sulfonylamino]-7-(3-pyridinyl)octanoic acid hydrochloride IUPAC Name: 8-[(4-naphthalen-1-ylphenyl)sulfonylamino]-7-pyridin-3-yloctanoic acid hydrochloride Traditional Name: 8-[[4-(1-naphthyl)phenyl]sulfonylamino]-7-(3-pyridyl)caprylic acid hydrochloride Formula: C29H31ClN2O4S MolecularWeight: 539.08544

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C3=CC=C(C=C3)S(=O)(=O)NCC(CCCCCC(=O)O)C4=CN=CC=C4.Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C3=CC=C(C=C3)S(=O)(=O)NCC(CCCCCC(=O)O)C4=CN=CC=C4.Cl

InChI

InChI=1S/C29H30N2O4S.ClH/c32-29(33)14-3-1-2-9-25(24-11-7-19-30-20-24)21-31-36(34,35)26-17-15-23(16-18-26)28-13-6-10-22-8-4-5-12-27(22)28;/h4-8,10-13,15-20,25,31H,1-3,9,14,21H2,(H,32,33);1H