5-[2-(2,2-dimethylpropyl)-1,3-dihydroisoindol-5-yl]-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide

Systemtic Name: 5-[2-(2,2-dimethylpropyl)-1,3-dihydroisoindol-5-yl]-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide Openeye Name: 5-[2-(2,2-dimethylpropyl)isoindolin-5-yl]-3-(1-ethylsulfonyl-4-piperidyl)-1H-indole-7-carboxamide CAS Name: 5-[2-(2,2-dimethylpropyl)-1,3-dihydroisoindol-5-yl]-3-(1-ethylsulfonyl-4-piperidinyl)-1H-indole-7-carboxamide IUPAC Name: 5-[2-(2,2-dimethylpropyl)-1,3-dihydroisoindol-5-yl]-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide Traditional Name: 3-(1-esyl-4-piperidyl)-5-(2-neopentylisoindolin-5-yl)-1H-indole-7-carboxamide Formula: C29H38N4O3S MolecularWeight: 522.70202

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C2=CNC3=C(C=C(C=C23)C4=CC5=C(CN(C5)CC(C)(C)C)C=C4)C(=O)N

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C2=CNC3=C(C=C(C=C23)C4=CC5=C(CN(C5)CC(C)(C)C)C=C4)C(=O)N

InChI

InChI=1S/C29H38N4O3S/c1-5-37(35,36)33-10-8-19(9-11-33)26-15-31-27-24(26)13-22(14-25(27)28(30)34)20-6-7-21-16-32(17-23(21)12-20)18-29(2,3)4/h6-7,12-15,19,31H,5,8-11,16-18H2,1-4H3,(H2,30,34)