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

Systemtic Name: 8-[[3-(4-chlorophenyl)carbonylphenyl]sulfonylamino]octanoic acid Openeye Name: 8-[[3-(4-chlorobenzoyl)phenyl]sulfonylamino]octanoic acid CAS Name: 8-[[3-[(4-chlorophenyl)-oxomethyl]phenyl]sulfonylamino]octanoic acid IUPAC Name: 8-[[3-(4-chlorobenzoyl)phenyl]sulfonylamino]octanoic acid Traditional Name: 8-[[3-(4-chlorobenzoyl)phenyl]sulfonylamino]caprylic acid Formula: C21H24ClNO5S MolecularWeight: 437.93696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClNO5S/c22-18-12-10-16(11-13-18)21(26)17-7-6-8-19(15-17)29(27,28)23-14-5-3-1-2-4-9-20(24)25/h6-8,10-13,15,23H,1-5,9,14H2,(H,24,25)