[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2-methoxy-5-sulfamoyl-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N)OC)C2(CCCCC2)C#N

Isomeric SMILES

CN(C(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N)OC)C2(CCCCC2)C#N

InChI

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