4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-but-2-enoic acid Openeye Name: 4-oxo-4-[4-(p-tolylsulfonyl)piperazin-1-yl]but-2-enoic acid CAS Name: 4-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-4-oxo-2-butenoic acid IUPAC Name: 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxobut-2-enoic acid Traditional Name: 4-keto-4-(4-tosylpiperazino)but-2-enoic acid Formula: C15H18N2O5S MolecularWeight: 338.37882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O5S/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/h2-7H,8-11H2,1H3,(H,19,20)