N-(1,7-diphenylheptan-4-yl)-2-(3-methoxy-4,5-dimethyl-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-(1,7-diphenylheptan-4-yl)-2-(3-methoxy-4,5-dimethyl-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-(3-methoxy-4,5-dimethyl-phenyl)sulfonyl-N-[4-phenyl-1-(3-phenylpropyl)butyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-(1,7-diphenylheptan-4-yl)-2-(3-methoxy-4,5-dimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(1,7-diphenylheptan-4-yl)-2-(3-methoxy-4,5-dimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-(3-methoxy-4,5-dimethyl-phenyl)sulfonyl-N-[4-phenyl-1-(3-phenylpropyl)butyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C38H44N2O4S MolecularWeight: 624.83196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)OC)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC(CCCC4=CC=CC=C4)CCCC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC(=C1C)OC)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC(CCCC4=CC=CC=C4)CCCC5=CC=CC=C5

InChI

InChI=1S/C38H44N2O4S/c1-28-24-35(26-37(44-3)29(28)2)45(42,43)40-27-33-21-11-10-20-32(33)25-36(40)38(41)39-34(22-12-18-30-14-6-4-7-15-30)23-13-19-31-16-8-5-9-17-31/h4-11,14-17,20-21,24,26,34,36H,12-13,18-19,22-23,25,27H2,1-3H3,(H,39,41)