(E)-4-oxidanylidene-N-phenyl-4-[4-(phenylsulfonyl)piperazin-1-yl]but-2-enamide

Systemtic Name: (E)-4-oxidanylidene-N-phenyl-4-[4-(phenylsulfonyl)piperazin-1-yl]but-2-enamide Openeye Name: (E)-4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxo-N-phenyl-but-2-enamide CAS Name: (E)-4-[4-(benzenesulfonyl)-1-piperazinyl]-4-oxo-N-phenyl-2-butenamide IUPAC Name: (E)-4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxo-N-phenylbut-2-enamide Traditional Name: (E)-4-(4-besylpiperazino)-4-keto-N-phenyl-but-2-enamide Formula: C20H21N3O4S MolecularWeight: 399.46344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C=CC(=O)NC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)/C=C/C(=O)NC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H21N3O4S/c24-19(21-17-7-3-1-4-8-17)11-12-20(25)22-13-15-23(16-14-22)28(26,27)18-9-5-2-6-10-18/h1-12H,13-16H2,(H,21,24)/b12-11+