2-(3,4-dimethoxyphenyl)sulfonyl-N-(1,7-diphenylheptan-4-yl)-1,3-dihydroisoindole-1-carboxamide

Systemtic Name: 2-(3,4-dimethoxyphenyl)sulfonyl-N-(1,7-diphenylheptan-4-yl)-1,3-dihydroisoindole-1-carboxamide Openeye Name: 2-(3,4-dimethoxyphenyl)sulfonyl-N-[4-phenyl-1-(3-phenylpropyl)butyl]isoindoline-1-carboxamide CAS Name: 2-(3,4-dimethoxyphenyl)sulfonyl-N-(1,7-diphenylheptan-4-yl)-1,3-dihydroisoindole-1-carboxamide IUPAC Name: 2-(3,4-dimethoxyphenyl)sulfonyl-N-(1,7-diphenylheptan-4-yl)-1,3-dihydroisoindole-1-carboxamide Traditional Name: 2-(3,4-dimethoxyphenyl)sulfonyl-N-[4-phenyl-1-(3-phenylpropyl)butyl]isoindoline-1-carboxamide Formula: C36H40N2O5S MolecularWeight: 612.7782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3C2C(=O)NC(CCCC4=CC=CC=C4)CCCC5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3C2C(=O)NC(CCCC4=CC=CC=C4)CCCC5=CC=CC=C5)OC

InChI

InChI=1S/C36H40N2O5S/c1-42-33-24-23-31(25-34(33)43-2)44(40,41)38-26-29-19-9-10-22-32(29)35(38)36(39)37-30(20-11-17-27-13-5-3-6-14-27)21-12-18-28-15-7-4-8-16-28/h3-10,13-16,19,22-25,30,35H,11-12,17-18,20-21,26H2,1-2H3,(H,37,39)