[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-benzoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 2-methyl-5-[(2-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 2-methyl-5-[(2-methyl-1-piperidinyl)sulfonyl]benzoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 2-methyl-5-(2-methylpiperidino)sulfonyl-benzoic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C23H31N3O5S MolecularWeight: 461.57434

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)OCC(=O)NC3(CCCCC3)C#N

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)OCC(=O)NC3(CCCCC3)C#N

InChI

InChI=1S/C23H31N3O5S/c1-17-9-10-19(32(29,30)26-13-7-4-8-18(26)2)14-20(17)22(28)31-15-21(27)25-23(16-24)11-5-3-6-12-23/h9-10,14,18H,3-8,11-13,15H2,1-2H3,(H,25,27)