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

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] (E)-4-oxidanylidene-4-[4-(phenylsulfonyl)piperazin-1-yl]but-2-enoate Openeye Name: [2-(cyclopropylamino)-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-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl] (E)-4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxobut-2-enoate Traditional Name: (E)-4-(4-besylpiperazino)-4-keto-but-2-enoic acid [2-(cyclopropylamino)-2-keto-ethyl] ester Formula: C19H23N3O6S MolecularWeight: 421.46742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O6S/c23-17(20-15-6-7-15)14-28-19(25)9-8-18(24)21-10-12-22(13-11-21)29(26,27)16-4-2-1-3-5-16/h1-5,8-9,15H,6-7,10-14H2,(H,20,23)/b9-8+