4-[4-(2-methoxy-5-methyl-phenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-(2-methoxy-5-methyl-phenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-(2-methoxy-5-methyl-phenyl)sulfonylpiperazin-1-yl]-4-oxo-butanoic acid CAS Name: 4-[4-(2-methoxy-5-methylphenyl)sulfonyl-1-piperazinyl]-4-oxobutanoic acid IUPAC Name: 4-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-4-oxobutanoic acid Traditional Name: 4-keto-4-[4-(2-methoxy-5-methyl-phenyl)sulfonylpiperazino]butyric acid Formula: C16H22N2O6S MolecularWeight: 370.42068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O6S/c1-12-3-4-13(24-2)14(11-12)25(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)