[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 4-methoxy-3-(methylsulfamoyl)benzoate

Systemtic Name: [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 4-methoxy-3-(methylsulfamoyl)benzoate Openeye Name: [(1R)-2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] 4-methoxy-3-(methylsulfamoyl)benzoate CAS Name: 4-methoxy-3-(methylsulfamoyl)benzoic acid [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 4-methoxy-3-(methylsulfamoyl)benzoate Traditional Name: 4-methoxy-3-(methylsulfamoyl)benzoic acid [(1R)-2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C19H25N3O6S MolecularWeight: 423.4833

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)NC

Isomeric SMILES

C[C@H](C(=O)NC1(CCCCC1)C#N)OC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)NC

InChI

InChI=1S/C19H25N3O6S/c1-13(17(23)22-19(12-20)9-5-4-6-10-19)28-18(24)14-7-8-15(27-3)16(11-14)29(25,26)21-2/h7-8,11,13,21H,4-6,9-10H2,1-3H3,(H,22,23)/t13-/m1/s1