[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 4-[[(2R)-butan-2-yl]sulfamoyl]benzoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 4-[[(2R)-butan-2-yl]sulfamoyl]benzoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 4-[[(1R)-1-methylpropyl]sulfamoyl]benzoate CAS Name: 4-[[(2R)-butan-2-yl]sulfamoyl]benzoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 4-[[(2R)-butan-2-yl]sulfamoyl]benzoate Traditional Name: 4-[[(1R)-1-methylpropyl]sulfamoyl]benzoic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C20H27N3O5S MolecularWeight: 421.51048

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)NC2(CCCCC2)C#N

Isomeric SMILES

CC[C@@H](C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)NC2(CCCCC2)C#N

InChI

InChI=1S/C20H27N3O5S/c1-3-15(2)23-29(26,27)17-9-7-16(8-10-17)19(25)28-13-18(24)22-20(14-21)11-5-4-6-12-20/h7-10,15,23H,3-6,11-13H2,1-2H3,(H,22,24)/t15-/m1/s1