[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 4-(prop-2-enylsulfamoyl)benzoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 4-(prop-2-enylsulfamoyl)benzoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 4-(allylsulfamoyl)benzoate CAS Name: 4-(prop-2-enylsulfamoyl)benzoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 4-(prop-2-enylsulfamoyl)benzoate Traditional Name: 4-(allylsulfamoyl)benzoic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)NC2(CCCC2)C#N

Isomeric SMILES

C=CCNS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)NC2(CCCC2)C#N

InChI

InChI=1S/C18H21N3O5S/c1-2-11-20-27(24,25)15-7-5-14(6-8-15)17(23)26-12-16(22)21-18(13-19)9-3-4-10-18/h2,5-8,20H,1,3-4,9-12H2,(H,21,22)