methyl 3-[2-(methylcarbamoyl)-4-[2-(phenylsulfonyl)ethyl]piperazin-1-yl]-3-oxidanylidene-propanoate

Systemtic Name: methyl 3-[2-(methylcarbamoyl)-4-[2-(phenylsulfonyl)ethyl]piperazin-1-yl]-3-oxidanylidene-propanoate Openeye Name: methyl 3-[4-[2-(benzenesulfonyl)ethyl]-2-(methylcarbamoyl)piperazin-1-yl]-3-oxo-propanoate CAS Name: 3-[4-[2-(benzenesulfonyl)ethyl]-2-(methylcarbamoyl)-1-piperazinyl]-3-oxopropanoic acid methyl ester IUPAC Name: methyl 3-[4-[2-(benzenesulfonyl)ethyl]-2-(methylcarbamoyl)piperazin-1-yl]-3-oxopropanoate Traditional Name: 3-[4-(2-besylethyl)-2-(methylcarbamoyl)piperazino]-3-keto-propionic acid methyl ester Formula: C18H25N3O6S MolecularWeight: 411.4726

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CN(CCN1C(=O)CC(=O)OC)CCS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CNC(=O)C1CN(CCN1C(=O)CC(=O)OC)CCS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H25N3O6S/c1-19-18(24)15-13-20(8-9-21(15)16(22)12-17(23)27-2)10-11-28(25,26)14-6-4-3-5-7-14/h3-7,15H,8-13H2,1-2H3,(H,19,24)