8-[[2-(3-chlorophenyl)-4-(phenylcarbonyl)phenyl]sulfonylamino]octanoic acid

Systemtic Name: 8-[[2-(3-chlorophenyl)-4-(phenylcarbonyl)phenyl]sulfonylamino]octanoic acid Openeye Name: 8-[[4-benzoyl-2-(3-chlorophenyl)phenyl]sulfonylamino]octanoic acid CAS Name: 8-[[4-benzoyl-2-(3-chlorophenyl)phenyl]sulfonylamino]octanoic acid IUPAC Name: 8-[[4-benzoyl-2-(3-chlorophenyl)phenyl]sulfonylamino]octanoic acid Traditional Name: 8-[[4-benzoyl-2-(3-chlorophenyl)phenyl]sulfonylamino]caprylic acid Formula: C27H28ClNO5S MolecularWeight: 514.03292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)S(=O)(=O)NCCCCCCCC(=O)O)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)S(=O)(=O)NCCCCCCCC(=O)O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C27H28ClNO5S/c28-23-13-9-12-21(18-23)24-19-22(27(32)20-10-5-4-6-11-20)15-16-25(24)35(33,34)29-17-8-3-1-2-7-14-26(30)31/h4-6,9-13,15-16,18-19,29H,1-3,7-8,14,17H2,(H,30,31)