[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 3-[butyl(phenyl)sulfamoyl]benzoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 3-[butyl(phenyl)sulfamoyl]benzoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 3-[butyl(phenyl)sulfamoyl]benzoate CAS Name: 3-[butyl(phenyl)sulfamoyl]benzoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3-[butyl(phenyl)sulfamoyl]benzoate Traditional Name: 3-[butyl(phenyl)sulfamoyl]benzoic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C25H29N3O5S MolecularWeight: 483.57986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3(CCCC3)C#N

Isomeric SMILES

CCCCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3(CCCC3)C#N

InChI

InChI=1S/C25H29N3O5S/c1-2-3-16-28(21-11-5-4-6-12-21)34(31,32)22-13-9-10-20(17-22)24(30)33-18-23(29)27-25(19-26)14-7-8-15-25/h4-6,9-13,17H,2-3,7-8,14-16,18H2,1H3,(H,27,29)