[2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(5-chloro-2-cyano-anilino)-2-oxo-ethyl] 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid [2-(5-chloro-2-cyano-anilino)-2-keto-ethyl] ester Formula: C19H18ClN3O5S2 MolecularWeight: 467.94632

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)C#N)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)C#N)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C19H18ClN3O5S2/c20-15-4-3-14(11-21)16(10-15)22-17(24)12-28-19(25)13-5-7-23(8-6-13)30(26,27)18-2-1-9-29-18/h1-4,9-10,13H,5-8,12H2,(H,22,24)