2-[3-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]sulfonyl-4-methyl-phenyl]ethanoic acid

Systemtic Name: 2-[3-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]sulfonyl-4-methyl-phenyl]ethanoic acid Openeye Name: 2-[3-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]sulfonyl-4-methyl-phenyl]acetic acid CAS Name: 2-[3-[[4-[(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]sulfonyl]-4-methylphenyl]acetic acid IUPAC Name: 2-[3-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]sulfonyl-4-methylphenyl]acetic acid Traditional Name: 2-[3-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino]sulfonyl-4-methyl-phenyl]acetic acid Formula: C26H27ClN2O4S MolecularWeight: 499.02158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CC(=O)O)S(=O)(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)CC(=O)O)S(=O)(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H27ClN2O4S/c1-19-7-8-20(18-25(30)31)17-24(19)34(32,33)29-15-13-28(14-16-29)26(21-5-3-2-4-6-21)22-9-11-23(27)12-10-22/h2-12,17,26H,13-16,18H2,1H3,(H,30,31)