2-[(4-methylsulfonylphenyl)methyl]-1,3-bis(oxidanylidene)-N-(pyridin-4-ylmethyl)isoindole-5-carboxamide

Systemtic Name: 2-[(4-methylsulfonylphenyl)methyl]-1,3-bis(oxidanylidene)-N-(pyridin-4-ylmethyl)isoindole-5-carboxamide Openeye Name: 2-[(4-methylsulfonylphenyl)methyl]-1,3-dioxo-N-(4-pyridylmethyl)isoindoline-5-carboxamide CAS Name: 2-[(4-methylsulfonylphenyl)methyl]-1,3-dioxo-N-(pyridin-4-ylmethyl)-5-isoindolecarboxamide IUPAC Name: 2-[(4-methylsulfonylphenyl)methyl]-1,3-dioxo-N-(pyridin-4-ylmethyl)isoindole-5-carboxamide Traditional Name: 1,3-diketo-2-(4-mesylbenzyl)-N-(4-pyridylmethyl)isoindoline-5-carboxamide Formula: C23H19N3O5S MolecularWeight: 449.47906

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NCC4=CC=NC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NCC4=CC=NC=C4

InChI

InChI=1S/C23H19N3O5S/c1-32(30,31)18-5-2-16(3-6-18)14-26-22(28)19-7-4-17(12-20(19)23(26)29)21(27)25-13-15-8-10-24-11-9-15/h2-12H,13-14H2,1H3,(H,25,27)