2-[5-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-2-methyl-phenyl]ethanoic acid

Systemtic Name: 2-[5-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-2-methyl-phenyl]ethanoic acid Openeye Name: 2-[5-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-2-methyl-phenyl]acetic acid CAS Name: 2-[5-[[4-(4-chlorophenyl)-1-piperazinyl]sulfonyl]-2-methylphenyl]acetic acid IUPAC Name: 2-[5-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-2-methylphenyl]acetic acid Traditional Name: 2-[5-[4-(4-chlorophenyl)piperazino]sulfonyl-2-methyl-phenyl]acetic acid Formula: C19H21ClN2O4S MolecularWeight: 408.89904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN2O4S/c1-14-2-7-18(12-15(14)13-19(23)24)27(25,26)22-10-8-21(9-11-22)17-5-3-16(20)4-6-17/h2-7,12H,8-11,13H2,1H3,(H,23,24)