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

Systemtic Name: [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 3-(methylsulfamoyl)benzoate Openeye Name: [(1R)-2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] 3-(methylsulfamoyl)benzoate CAS Name: 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] 3-(methylsulfamoyl)benzoate Traditional Name: 3-(methylsulfamoyl)benzoic acid [(1R)-2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C18H23N3O5S MolecularWeight: 393.45732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O5S/c1-13(16(22)21-18(12-19)9-4-3-5-10-18)26-17(23)14-7-6-8-15(11-14)27(24,25)20-2/h6-8,11,13,20H,3-5,9-10H2,1-2H3,(H,21,22)/t13-/m1/s1