[2-oxidanylidene-2-[(4-piperidin-1-ylsulfonylphenyl)amino]ethyl] 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(4-piperidin-1-ylsulfonylphenyl)amino]ethyl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [2-oxo-2-[4-(1-piperidylsulfonyl)anilino]ethyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [2-oxo-2-[4-(1-piperidinylsulfonyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [2-keto-2-(4-piperidinosulfonylanilino)ethyl] ester Formula: C20H29N3O7S2 MolecularWeight: 487.59016

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H29N3O7S2/c1-31(26,27)22-13-9-16(10-14-22)20(25)30-15-19(24)21-17-5-7-18(8-6-17)32(28,29)23-11-3-2-4-12-23/h5-8,16H,2-4,9-15H2,1H3,(H,21,24)