4-[3-[(4-chlorophenyl)sulfonylamino]-3-pyridin-3-yl-propyl]benzoic acid

Systemtic Name: 4-[3-[(4-chlorophenyl)sulfonylamino]-3-pyridin-3-yl-propyl]benzoic acid Openeye Name: 4-[3-[(4-chlorophenyl)sulfonylamino]-3-(3-pyridyl)propyl]benzoic acid CAS Name: 4-[3-[(4-chlorophenyl)sulfonylamino]-3-(3-pyridinyl)propyl]benzoic acid IUPAC Name: 4-[3-[(4-chlorophenyl)sulfonylamino]-3-pyridin-3-ylpropyl]benzoic acid Traditional Name: 4-[3-[(4-chlorophenyl)sulfonylamino]-3-(3-pyridyl)propyl]benzoic acid Formula: C21H19ClN2O4S MolecularWeight: 430.90456

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(CCC2=CC=C(C=C2)C(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC(=CN=C1)C(CCC2=CC=C(C=C2)C(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H19ClN2O4S/c22-18-8-10-19(11-9-18)29(27,28)24-20(17-2-1-13-23-14-17)12-5-15-3-6-16(7-4-15)21(25)26/h1-4,6-11,13-14,20,24H,5,12H2,(H,25,26)