[2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl] 2-(methylsulfonylamino)benzoate

Systemtic Name: [2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl] 2-(methylsulfonylamino)benzoate Openeye Name: [2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxo-ethyl] 2-(methanesulfonamido)benzoate CAS Name: 2-(methanesulfonamido)benzoic acid [2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-2-pyrrolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)amino]-2-oxoethyl] 2-(methanesulfonamido)benzoate Traditional Name: 2-(methanesulfonamido)benzoic acid [2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-keto-ethyl] ester Formula: C22H26N4O5S MolecularWeight: 458.53064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)C2=CC=CC=C2NS(=O)(=O)C)C3CCCC3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)C2=CC=CC=C2NS(=O)(=O)C)C3CCCC3)C

InChI

InChI=1S/C22H26N4O5S/c1-14-15(2)26(16-8-4-5-9-16)21(18(14)12-23)24-20(27)13-31-22(28)17-10-6-7-11-19(17)25-32(3,29)30/h6-7,10-11,16,25H,4-5,8-9,13H2,1-3H3,(H,24,27)