8-[(4-naphthalen-2-ylphenyl)sulfonylamino]-7-pyridin-3-yl-octanoic acid hydrochloride

Systemtic Name: 8-[(4-naphthalen-2-ylphenyl)sulfonylamino]-7-pyridin-3-yl-octanoic acid hydrochloride Openeye Name: 8-[[4-(2-naphthyl)phenyl]sulfonylamino]-7-(3-pyridyl)octanoic acid hydrochloride CAS Name: 8-[[4-(2-naphthalenyl)phenyl]sulfonylamino]-7-(3-pyridinyl)octanoic acid hydrochloride IUPAC Name: 8-[(4-naphthalen-2-ylphenyl)sulfonylamino]-7-pyridin-3-yloctanoic acid hydrochloride Traditional Name: 8-[[4-(2-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=C(C=CC2=C1)C3=CC=C(C=C3)S(=O)(=O)NCC(CCCCCC(=O)O)C4=CN=CC=C4.Cl

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)C3=CC=C(C=C3)S(=O)(=O)NCC(CCCCCC(=O)O)C4=CN=CC=C4.Cl

InChI

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