2-[3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-5-methyl-phenyl]ethanoic acid

Systemtic Name: 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-5-methyl-phenyl]ethanoic acid Openeye Name: 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-5-methyl-phenyl]acetic acid CAS Name: 2-[3-[[4-(3-chlorophenyl)-1-piperazinyl]sulfonyl]-5-methylphenyl]acetic acid IUPAC Name: 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-5-methylphenyl]acetic acid Traditional Name: 2-[3-[4-(3-chlorophenyl)piperazino]sulfonyl-5-methyl-phenyl]acetic acid Formula: C19H21ClN2O4S MolecularWeight: 408.89904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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