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

Systemtic Name: (E)-4-oxidanylidene-N-(phenylmethyl)-4-[4-(phenylsulfonyl)piperazin-1-yl]but-2-enamide Openeye Name: (E)-4-[4-(benzenesulfonyl)piperazin-1-yl]-N-benzyl-4-oxo-but-2-enamide CAS Name: (E)-4-[4-(benzenesulfonyl)-1-piperazinyl]-4-oxo-N-(phenylmethyl)-2-butenamide IUPAC Name: (E)-4-[4-(benzenesulfonyl)piperazin-1-yl]-N-benzyl-4-oxobut-2-enamide Traditional Name: (E)-N-benzyl-4-(4-besylpiperazino)-4-keto-but-2-enamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C=CC(=O)NCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)/C=C/C(=O)NCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O4S/c25-20(22-17-18-7-3-1-4-8-18)11-12-21(26)23-13-15-24(16-14-23)29(27,28)19-9-5-2-6-10-19/h1-12H,13-17H2,(H,22,25)/b12-11+