[2-oxidanylidene-2-(propan-2-ylamino)ethyl] (E)-4-oxidanylidene-4-[4-(phenylsulfonyl)piperazin-1-yl]but-2-enoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] (E)-4-oxidanylidene-4-[4-(phenylsulfonyl)piperazin-1-yl]but-2-enoate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] (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 [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] (E)-4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxobut-2-enoate Traditional Name: (E)-4-(4-besylpiperazino)-4-keto-but-2-enoic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C19H25N3O6S MolecularWeight: 423.4833

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)COC(=O)C=CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)NC(=O)COC(=O)/C=C/C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H25N3O6S/c1-15(2)20-17(23)14-28-19(25)9-8-18(24)21-10-12-22(13-11-21)29(26,27)16-6-4-3-5-7-16/h3-9,15H,10-14H2,1-2H3,(H,20,23)/b9-8+