[2-[[4-(dimethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[[4-(dimethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [2-[4-(dimethylsulfamoyl)anilino]-2-oxo-ethyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [2-[4-(dimethylsulfamoyl)anilino]-2-keto-ethyl] ester Formula: C17H25N3O7S2 MolecularWeight: 447.5263

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C17H25N3O7S2/c1-19(2)29(25,26)15-6-4-14(5-7-15)18-16(21)12-27-17(22)13-8-10-20(11-9-13)28(3,23)24/h4-7,13H,8-12H2,1-3H3,(H,18,21)