2-(4-ethoxyphenyl)-N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide

Systemtic Name: 2-(4-ethoxyphenyl)-N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: 2-(4-ethoxyphenyl)-N-[2-methyl-5-(1-piperidylsulfonyl)phenyl]-1,3-dioxo-isoindoline-5-carboxamide CAS Name: 2-(4-ethoxyphenyl)-N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: 2-(4-ethoxyphenyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1,3-dioxoisoindole-5-carboxamide Traditional Name: 1,3-diketo-N-(2-methyl-5-piperidinosulfonyl-phenyl)-2-p-phenetyl-isoindoline-5-carboxamide Formula: C29H29N3O6S MolecularWeight: 547.62206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=C(C=CC(=C4)S(=O)(=O)N5CCCCC5)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=C(C=CC(=C4)S(=O)(=O)N5CCCCC5)C

InChI

InChI=1S/C29H29N3O6S/c1-3-38-22-11-9-21(10-12-22)32-28(34)24-14-8-20(17-25(24)29(32)35)27(33)30-26-18-23(13-7-19(26)2)39(36,37)31-15-5-4-6-16-31/h7-14,17-18H,3-6,15-16H2,1-2H3,(H,30,33)