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

Systemtic Name: N-(1,7-diphenylheptan-4-yl)-2-(3-methoxy-4,5-dimethyl-phenyl)sulfonyl-1-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 1-benzyl-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-1-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 1-benzyl-N-(1,7-diphenylheptan-4-yl)-2-(3-methoxy-4,5-dimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 1-benzyl-2-(3-methoxy-4,5-dimethyl-phenyl)sulfonyl-N-[4-phenyl-1-(3-phenylpropyl)butyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C45H50N2O4S MolecularWeight: 714.9545

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)OC)S(=O)(=O)N2C(CC3=CC=CC=C3C2CC4=CC=CC=C4)C(=O)NC(CCCC5=CC=CC=C5)CCCC6=CC=CC=C6

Isomeric SMILES

CC1=CC(=CC(=C1C)OC)S(=O)(=O)N2C(CC3=CC=CC=C3C2CC4=CC=CC=C4)C(=O)NC(CCCC5=CC=CC=C5)CCCC6=CC=CC=C6

InChI

InChI=1S/C45H50N2O4S/c1-33-29-40(32-44(51-3)34(33)2)52(49,50)47-42(30-37-21-11-6-12-22-37)41-28-14-13-25-38(41)31-43(47)45(48)46-39(26-15-23-35-17-7-4-8-18-35)27-16-24-36-19-9-5-10-20-36/h4-14,17-22,25,28-29,32,39,42-43H,15-16,23-24,26-27,30-31H2,1-3H3,(H,46,48)