8-[(4-chlorophenyl)sulfonylamino]-4-(3-pyridin-3-ylphenyl)octanoic acid

Systemtic Name: 8-[(4-chlorophenyl)sulfonylamino]-4-(3-pyridin-3-ylphenyl)octanoic acid Openeye Name: 8-[(4-chlorophenyl)sulfonylamino]-4-[3-(3-pyridyl)phenyl]octanoic acid CAS Name: 8-[(4-chlorophenyl)sulfonylamino]-4-[3-(3-pyridinyl)phenyl]octanoic acid IUPAC Name: 8-[(4-chlorophenyl)sulfonylamino]-4-(3-pyridin-3-ylphenyl)octanoic acid Traditional Name: 8-[(4-chlorophenyl)sulfonylamino]-4-[3-(3-pyridyl)phenyl]caprylic acid Formula: C25H27ClN2O4S MolecularWeight: 487.01088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(CCCCNS(=O)(=O)C2=CC=C(C=C2)Cl)CCC(=O)O)C3=CN=CC=C3

Isomeric SMILES

C1=CC(=CC(=C1)C(CCCCNS(=O)(=O)C2=CC=C(C=C2)Cl)CCC(=O)O)C3=CN=CC=C3

InChI

InChI=1S/C25H27ClN2O4S/c26-23-10-12-24(13-11-23)33(31,32)28-16-2-1-5-19(9-14-25(29)30)20-6-3-7-21(17-20)22-8-4-15-27-18-22/h3-4,6-8,10-13,15,17-19,28H,1-2,5,9,14,16H2,(H,29,30)