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

Systemtic Name: propan-2-yl 5-[(3-cyclopentylsulfonylphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: isopropyl 5-[(3-cyclopentylsulfonylphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(3-cyclopentylsulfonylanilino)-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-[(3-cyclopentylsulfonylphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(3-cyclopentylsulfonylphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid isopropyl ester Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)NC2=CC(=CC=C2)S(=O)(=O)C3CCCC3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)NC2=CC(=CC=C2)S(=O)(=O)C3CCCC3

InChI

InChI=1S/C22H28N2O5S/c1-13(2)29-22(26)19-14(3)20(23-15(19)4)21(25)24-16-8-7-11-18(12-16)30(27,28)17-9-5-6-10-17/h7-8,11-13,17,23H,5-6,9-10H2,1-4H3,(H,24,25)