ethyl 5-[(4-cyclopentylsulfonylphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[(4-cyclopentylsulfonylphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(4-cyclopentylsulfonylphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(4-cyclopentylsulfonylanilino)-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-cyclopentylsulfonylphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(4-cyclopentylsulfonylphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)C3CCCC3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)C3CCCC3)C

InChI

InChI=1S/C21H26N2O5S/c1-4-28-21(25)18-13(2)19(22-14(18)3)20(24)23-15-9-11-17(12-10-15)29(26,27)16-7-5-6-8-16/h9-12,16,22H,4-8H2,1-3H3,(H,23,24)