[2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] 4-(1-hydroxyethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] 4-(1-hydroxyethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 4-(1-hydroxyethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-(1-hydroxyethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid [2-oxo-2-[3-(1-pyrrolidinylsulfonyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 4-(1-hydroxyethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-(1-hydroxyethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid [2-keto-2-(3-pyrrolidinosulfonylanilino)ethyl] ester Formula: C21H27N3O6S MolecularWeight: 449.52058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(C)O)C)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=C(NC(=C1C(C)O)C)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H27N3O6S/c1-13-19(15(3)25)14(2)22-20(13)21(27)30-12-18(26)23-16-7-6-8-17(11-16)31(28,29)24-9-4-5-10-24/h6-8,11,15,22,25H,4-5,9-10,12H2,1-3H3,(H,23,26)