[1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 2-methoxy-5-sulfamoyl-benzoate

Systemtic Name: [1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 2-methoxy-5-sulfamoyl-benzoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] 2-methoxy-5-sulfamoyl-benzoate CAS Name: 2-methoxy-5-sulfamoylbenzoic acid [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 2-methoxy-5-sulfamoylbenzoate Traditional Name: 2-methoxy-5-sulfamoyl-benzoic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C18H23N3O6S MolecularWeight: 409.45672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O6S/c1-12(16(22)21-18(11-19)8-4-3-5-9-18)27-17(23)14-10-13(28(20,24)25)6-7-15(14)26-2/h6-7,10,12H,3-5,8-9H2,1-2H3,(H,21,22)(H2,20,24,25)