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

Systemtic Name: (E)-N-cyclopropyl-4-oxidanylidene-4-[4-(phenylsulfonyl)piperazin-1-yl]but-2-enamide Openeye Name: (E)-4-[4-(benzenesulfonyl)piperazin-1-yl]-N-cyclopropyl-4-oxo-but-2-enamide CAS Name: (E)-4-[4-(benzenesulfonyl)-1-piperazinyl]-N-cyclopropyl-4-oxo-2-butenamide IUPAC Name: (E)-4-[4-(benzenesulfonyl)piperazin-1-yl]-N-cyclopropyl-4-oxobut-2-enamide Traditional Name: (E)-4-(4-besylpiperazino)-N-cyclopropyl-4-keto-but-2-enamide Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C=CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CC1NC(=O)/C=C/C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H21N3O4S/c21-16(18-14-6-7-14)8-9-17(22)19-10-12-20(13-11-19)25(23,24)15-4-2-1-3-5-15/h1-5,8-9,14H,6-7,10-13H2,(H,18,21)/b9-8+