8-[[2-(4-chlorophenyl)carbonylphenyl]sulfonylamino]octanoic acid

Systemtic Name: 8-[[2-(4-chlorophenyl)carbonylphenyl]sulfonylamino]octanoic acid Openeye Name: 8-[[2-(4-chlorobenzoyl)phenyl]sulfonylamino]octanoic acid CAS Name: 8-[[2-[(4-chlorophenyl)-oxomethyl]phenyl]sulfonylamino]octanoic acid IUPAC Name: 8-[[2-(4-chlorobenzoyl)phenyl]sulfonylamino]octanoic acid Traditional Name: 8-[[2-(4-chlorobenzoyl)phenyl]sulfonylamino]caprylic acid Formula: C21H24ClNO5S MolecularWeight: 437.93696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClNO5S/c22-17-13-11-16(12-14-17)21(26)18-8-5-6-9-19(18)29(27,28)23-15-7-3-1-2-4-10-20(24)25/h5-6,8-9,11-14,23H,1-4,7,10,15H2,(H,24,25)