[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate CAS Name: (2S)-1-(4-chlorophenyl)sulfonyl-2-pyrrolidinecarboxylic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C20H24ClN3O5S MolecularWeight: 453.93966

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)COC(=O)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)COC(=O)[C@@H]2CCCN2S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H24ClN3O5S/c21-15-6-8-16(9-7-15)30(27,28)24-12-4-5-17(24)19(26)29-13-18(25)23-20(14-22)10-2-1-3-11-20/h6-9,17H,1-5,10-13H2,(H,23,25)/t17-/m0/s1