(phenylmethyl) (E)-4-oxidanylidene-4-[4-(phenylsulfonyl)piperazin-1-yl]but-2-enoate

Systemtic Name: (phenylmethyl) (E)-4-oxidanylidene-4-[4-(phenylsulfonyl)piperazin-1-yl]but-2-enoate Openeye Name: benzyl (E)-4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxo-but-2-enoate CAS Name: (E)-4-[4-(benzenesulfonyl)-1-piperazinyl]-4-oxo-2-butenoic acid (phenylmethyl) ester IUPAC Name: benzyl (E)-4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxobut-2-enoate Traditional Name: (E)-4-(4-besylpiperazino)-4-keto-but-2-enoic acid benzyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C=CC(=O)OCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)/C=C/C(=O)OCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O5S/c24-20(11-12-21(25)28-17-18-7-3-1-4-8-18)22-13-15-23(16-14-22)29(26,27)19-9-5-2-6-10-19/h1-12H,13-17H2/b12-11+