[2-(methylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(methylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(methylcarbamoylamino)-2-oxo-1-phenyl-ethyl] 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid [2-keto-2-(methylcarbamoylamino)-1-phenyl-ethyl] ester Formula: C20H23N3O6S2 MolecularWeight: 465.54312

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC(=O)C(C1=CC=CC=C1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CNC(=O)NC(=O)C(C1=CC=CC=C1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C20H23N3O6S2/c1-21-20(26)22-18(24)17(14-6-3-2-4-7-14)29-19(25)15-9-11-23(12-10-15)31(27,28)16-8-5-13-30-16/h2-8,13,15,17H,9-12H2,1H3,(H2,21,22,24,26)