[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carboxylate

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carboxylate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-1-phenyl-ethyl] 1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carboxylate CAS Name: 1-methyl-4-(1-pyrrolidinylsulfonyl)-2-pyrrolecarboxylic acid [2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxylate Traditional Name: 1-methyl-4-pyrrolidinosulfonyl-pyrrole-2-carboxylic acid [2-(3,5-dimethylanilino)-2-keto-1-phenyl-ethyl] ester Formula: C26H29N3O5S MolecularWeight: 495.59056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC(=CN3C)S(=O)(=O)N4CCCC4)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC(=CN3C)S(=O)(=O)N4CCCC4)C

InChI

InChI=1S/C26H29N3O5S/c1-18-13-19(2)15-21(14-18)27-25(30)24(20-9-5-4-6-10-20)34-26(31)23-16-22(17-28(23)3)35(32,33)29-11-7-8-12-29/h4-6,9-10,13-17,24H,7-8,11-12H2,1-3H3,(H,27,30)