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

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 3-[(phenylmethyl)sulfamoyl]benzoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 3-(benzylsulfamoyl)benzoate CAS Name: 3-[(phenylmethyl)sulfamoyl]benzoic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 3-(benzylsulfamoyl)benzoate Traditional Name: 3-(benzylsulfamoyl)benzoic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C24H27N3O5S MolecularWeight: 469.55328

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)NCC2=CC=CC=C2)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)NCC2=CC=CC=C2)C3(CCCCC3)C#N

InChI

InChI=1S/C24H27N3O5S/c1-27(24(18-25)13-6-3-7-14-24)22(28)17-32-23(29)20-11-8-12-21(15-20)33(30,31)26-16-19-9-4-2-5-10-19/h2,4-5,8-12,15,26H,3,6-7,13-14,16-17H2,1H3