4-oxidanylidene-4-[4-(phenylsulfonyl)piperazin-1-yl]but-2-enoic acid

Systemtic Name: 4-oxidanylidene-4-[4-(phenylsulfonyl)piperazin-1-yl]but-2-enoic acid Openeye Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxo-but-2-enoic acid CAS Name: 4-[4-(benzenesulfonyl)-1-piperazinyl]-4-oxo-2-butenoic acid IUPAC Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxobut-2-enoic acid Traditional Name: 4-(4-besylpiperazino)-4-keto-but-2-enoic acid Formula: C14H16N2O5S MolecularWeight: 324.35224

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C=CC(=O)O)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

C1CN(CCN1C(=O)C=CC(=O)O)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H16N2O5S/c17-13(6-7-14(18)19)15-8-10-16(11-9-15)22(20,21)12-4-2-1-3-5-12/h1-7H,8-11H2,(H,18,19)