[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2-methoxy-5-sulfamoyl-benzoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2-methoxy-5-sulfamoyl-benzoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 2-methoxy-5-sulfamoyl-benzoate CAS Name: 2-methoxy-5-sulfamoylbenzoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate Traditional Name: 2-methoxy-5-sulfamoyl-benzoic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C16H19N3O6S MolecularWeight: 381.40356

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)OCC(=O)NC2(CCCC2)C#N

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)OCC(=O)NC2(CCCC2)C#N

InChI

InChI=1S/C16H19N3O6S/c1-24-13-5-4-11(26(18,22)23)8-12(13)15(21)25-9-14(20)19-16(10-17)6-2-3-7-16/h4-5,8H,2-3,6-7,9H2,1H3,(H,19,20)(H2,18,22,23)