[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 3-(methylsulfamoyl)benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)N(C)C2(CCCCC2)C#N

Isomeric SMILES

CNS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)N(C)C2(CCCCC2)C#N

InChI

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