2-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylphenyl]-3-methyl-butanoic acid

Systemtic Name: 2-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylphenyl]-3-methyl-butanoic acid Openeye Name: 2-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylphenyl]-3-methyl-butanoic acid CAS Name: 2-[2-[[4-(4-chlorophenyl)-1-piperazinyl]sulfonyl]phenyl]-3-methylbutanoic acid IUPAC Name: 2-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylphenyl]-3-methylbutanoic acid Traditional Name: 2-[2-[4-(4-chlorophenyl)piperazino]sulfonylphenyl]-3-methyl-butyric acid Formula: C21H25ClN2O4S MolecularWeight: 436.9522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=CC=C1S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CC(C)C(C1=CC=CC=C1S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C21H25ClN2O4S/c1-15(2)20(21(25)26)18-5-3-4-6-19(18)29(27,28)24-13-11-23(12-14-24)17-9-7-16(22)8-10-17/h3-10,15,20H,11-14H2,1-2H3,(H,25,26)