[2-(methylamino)-2-oxidanylidene-ethyl] 4-oxidanylidene-4-[4-(phenylsulfonyl)piperazin-1-yl]butanoate

Systemtic Name: [2-(methylamino)-2-oxidanylidene-ethyl] 4-oxidanylidene-4-[4-(phenylsulfonyl)piperazin-1-yl]butanoate Openeye Name: [2-(methylamino)-2-oxo-ethyl] 4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxo-butanoate CAS Name: 4-[4-(benzenesulfonyl)-1-piperazinyl]-4-oxobutanoic acid [2-(methylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylamino)-2-oxoethyl] 4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxobutanoate Traditional Name: 4-(4-besylpiperazino)-4-keto-butyric acid [2-keto-2-(methylamino)ethyl] ester Formula: C17H23N3O6S MolecularWeight: 397.44602

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)COC(=O)CCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CNC(=O)COC(=O)CCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H23N3O6S/c1-18-15(21)13-26-17(23)8-7-16(22)19-9-11-20(12-10-19)27(24,25)14-5-3-2-4-6-14/h2-6H,7-13H2,1H3,(H,18,21)