[2-oxidanylidene-2-(4-propan-2-ylphenyl)ethyl] 1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H26N2O5S/c1-15(2)16-6-8-17(9-7-16)20(24)14-28-21(25)19-12-18(13-22(19)3)29(26,27)23-10-4-5-11-23/h6-9,12-13,15H,4-5,10-11,14H2,1-3H3