[2-[(2-cyano-1-benzofuran-3-yl)amino]-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[(2-cyano-1-benzofuran-3-yl)amino]-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [2-[(2-cyanobenzofuran-3-yl)amino]-2-oxo-ethyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [2-[(2-cyano-3-benzofuranyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-cyano-1-benzofuran-3-yl)amino]-2-oxoethyl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [2-[(2-cyanobenzofuran-3-yl)amino]-2-keto-ethyl] ester Formula: C18H19N3O6S MolecularWeight: 405.42496

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)NC2=C(OC3=CC=CC=C32)C#N

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)NC2=C(OC3=CC=CC=C32)C#N

InChI

InChI=1S/C18H19N3O6S/c1-28(24,25)21-8-6-12(7-9-21)18(23)26-11-16(22)20-17-13-4-2-3-5-14(13)27-15(17)10-19/h2-5,12H,6-9,11H2,1H3,(H,20,22)