[1-(2,5-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carboxylate

Systemtic Name: [1-(2,5-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carboxylate Openeye Name: [2-(2,5-dimethylphenyl)-1-methyl-2-oxo-ethyl] 1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carboxylate CAS Name: 1-methyl-4-(1-pyrrolidinylsulfonyl)-2-pyrrolecarboxylic acid [1-(2,5-dimethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,5-dimethylphenyl)-1-oxopropan-2-yl] 1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxylate Traditional Name: 1-methyl-4-pyrrolidinosulfonyl-pyrrole-2-carboxylic acid [2-(2,5-dimethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)C(C)OC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)C(C)OC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H26N2O5S/c1-14-7-8-15(2)18(11-14)20(24)16(3)28-21(25)19-12-17(13-22(19)4)29(26,27)23-9-5-6-10-23/h7-8,11-13,16H,5-6,9-10H2,1-4H3