1-[2-(1-benzothiophen-2-ylmethyl)-1,3-bis(oxidanylidene)isoindol-4-yl]-N-(6-methyl-6-oxidanyl-heptan-2-yl)piperidine-3-carboxamide

Systemtic Name: 1-[2-(1-benzothiophen-2-ylmethyl)-1,3-bis(oxidanylidene)isoindol-4-yl]-N-(6-methyl-6-oxidanyl-heptan-2-yl)piperidine-3-carboxamide Openeye Name: 1-[2-(benzothiophen-2-ylmethyl)-1,3-dioxo-isoindolin-4-yl]-N-(5-hydroxy-1,5-dimethyl-hexyl)piperidine-3-carboxamide CAS Name: 1-[2-(1-benzothiophen-2-ylmethyl)-1,3-dioxo-4-isoindolyl]-N-(6-hydroxy-6-methylheptan-2-yl)-3-piperidinecarboxamide IUPAC Name: 1-[2-(1-benzothiophen-2-ylmethyl)-1,3-dioxoisoindol-4-yl]-N-(6-hydroxy-6-methylheptan-2-yl)piperidine-3-carboxamide Traditional Name: 1-[2-(benzothiophen-2-ylmethyl)-1,3-diketo-isoindolin-4-yl]-N-(5-hydroxy-1,5-dimethyl-hexyl)nipecotamide Formula: C31H37N3O4S MolecularWeight: 547.70818

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(C)(C)O)NC(=O)C1CCCN(C1)C2=CC=CC3=C2C(=O)N(C3=O)CC4=CC5=CC=CC=C5S4

Isomeric SMILES

CC(CCCC(C)(C)O)NC(=O)C1CCCN(C1)C2=CC=CC3=C2C(=O)N(C3=O)CC4=CC5=CC=CC=C5S4

InChI

InChI=1S/C31H37N3O4S/c1-20(9-7-15-31(2,3)38)32-28(35)22-11-8-16-33(18-22)25-13-6-12-24-27(25)30(37)34(29(24)36)19-23-17-21-10-4-5-14-26(21)39-23/h4-6,10,12-14,17,20,22,38H,7-9,11,15-16,18-19H2,1-3H3,(H,32,35)