2-(3,4-dimethoxyphenyl)sulfonyl-N-(1,7-diphenylheptan-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-(3,4-dimethoxyphenyl)sulfonyl-N-(1,7-diphenylheptan-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-(3,4-dimethoxyphenyl)sulfonyl-N-[4-phenyl-1-(3-phenylpropyl)butyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-(3,4-dimethoxyphenyl)sulfonyl-N-(1,7-diphenylheptan-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-(3,4-dimethoxyphenyl)sulfonyl-N-(1,7-diphenylheptan-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-(3,4-dimethoxyphenyl)sulfonyl-N-[4-phenyl-1-(3-phenylpropyl)butyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C37H42N2O5S MolecularWeight: 626.80478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=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=C3CC2C(=O)NC(CCCC4=CC=CC=C4)CCCC5=CC=CC=C5)OC

InChI

InChI=1S/C37H42N2O5S/c1-43-35-24-23-33(26-36(35)44-2)45(41,42)39-27-31-20-10-9-19-30(31)25-34(39)37(40)38-32(21-11-17-28-13-5-3-6-14-28)22-12-18-29-15-7-4-8-16-29/h3-10,13-16,19-20,23-24,26,32,34H,11-12,17-18,21-22,25,27H2,1-2H3,(H,38,40)