4-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-4-oxo-butanoic acid CAS Name: 4-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-4-oxobutanoic acid IUPAC Name: 4-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-4-oxobutanoic acid Traditional Name: 4-[4-(3,4-dimethylphenyl)sulfonylpiperazino]-4-keto-butyric acid Formula: C16H22N2O5S MolecularWeight: 354.42128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)O)C

InChI

InChI=1S/C16H22N2O5S/c1-12-3-4-14(11-13(12)2)24(22,23)18-9-7-17(8-10-18)15(19)5-6-16(20)21/h3-4,11H,5-10H2,1-2H3,(H,20,21)