N-[(3-methylimidazol-4-yl)methyl]-2-[(4-methylsulfonylphenyl)methyl]-3-oxidanylidene-1H-isoindole-5-carboxamide

Systemtic Name: N-[(3-methylimidazol-4-yl)methyl]-2-[(4-methylsulfonylphenyl)methyl]-3-oxidanylidene-1H-isoindole-5-carboxamide Openeye Name: N-[(3-methylimidazol-4-yl)methyl]-2-[(4-methylsulfonylphenyl)methyl]-3-oxo-isoindoline-5-carboxamide CAS Name: N-[(3-methyl-4-imidazolyl)methyl]-2-[(4-methylsulfonylphenyl)methyl]-3-oxo-1H-isoindole-5-carboxamide IUPAC Name: N-[(3-methylimidazol-4-yl)methyl]-2-[(4-methylsulfonylphenyl)methyl]-3-oxo-1H-isoindole-5-carboxamide Traditional Name: 3-keto-2-(4-mesylbenzyl)-N-[(3-methylimidazol-4-yl)methyl]isoindoline-5-carboxamide Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1CNC(=O)C2=CC3=C(CN(C3=O)CC4=CC=C(C=C4)S(=O)(=O)C)C=C2

Isomeric SMILES

CN1C=NC=C1CNC(=O)C2=CC3=C(CN(C3=O)CC4=CC=C(C=C4)S(=O)(=O)C)C=C2

InChI

InChI=1S/C22H22N4O4S/c1-25-14-23-10-18(25)11-24-21(27)16-5-6-17-13-26(22(28)20(17)9-16)12-15-3-7-19(8-4-15)31(2,29)30/h3-10,14H,11-13H2,1-2H3,(H,24,27)