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

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C14H17N3O5S2 MolecularWeight: 371.43188

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)NC2=C(C=CS2)C#N

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)NC2=C(C=CS2)C#N

InChI

InChI=1S/C14H17N3O5S2/c1-24(20,21)17-5-2-10(3-6-17)14(19)22-9-12(18)16-13-11(8-15)4-7-23-13/h4,7,10H,2-3,5-6,9H2,1H3,(H,16,18)