4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-oxo-4-[4-(p-tolylsulfonyl)piperazin-1-yl]butanoic acid CAS Name: 4-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-4-oxobutanoic acid IUPAC Name: 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxobutanoic acid Traditional Name: 4-keto-4-(4-tosylpiperazino)butyric acid Formula: C15H20N2O5S MolecularWeight: 340.3947

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O5S/c1-12-2-4-13(5-3-12)23(21,22)17-10-8-16(9-11-17)14(18)6-7-15(19)20/h2-5H,6-11H2,1H3,(H,19,20)