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

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-sulfamoyl-benzoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 2-chloro-5-sulfamoyl-benzoate CAS Name: 2-chloro-5-sulfamoylbenzoic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate Traditional Name: 2-chloro-5-sulfamoyl-benzoic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C17H20ClN3O5S MolecularWeight: 413.8758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClN3O5S/c1-21(17(11-19)7-3-2-4-8-17)15(22)10-26-16(23)13-9-12(27(20,24)25)5-6-14(13)18/h5-6,9H,2-4,7-8,10H2,1H3,(H2,20,24,25)