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

Systemtic Name: 2-(3,4-dimethoxyphenyl)sulfonyl-N-(1,7-diphenylheptan-4-yl)-1-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 1-benzyl-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)-1-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 1-benzyl-2-(3,4-dimethoxyphenyl)sulfonyl-N-(1,7-diphenylheptan-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 1-benzyl-2-(3,4-dimethoxyphenyl)sulfonyl-N-[4-phenyl-1-(3-phenylpropyl)butyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C44H48N2O5S MolecularWeight: 716.92732

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2C(CC3=CC=CC=C3C2CC4=CC=CC=C4)C(=O)NC(CCCC5=CC=CC=C5)CCCC6=CC=CC=C6)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2C(CC3=CC=CC=C3C2CC4=CC=CC=C4)C(=O)NC(CCCC5=CC=CC=C5)CCCC6=CC=CC=C6)OC

InChI

InChI=1S/C44H48N2O5S/c1-50-42-29-28-38(32-43(42)51-2)52(48,49)46-40(30-35-20-10-5-11-21-35)39-27-13-12-24-36(39)31-41(46)44(47)45-37(25-14-22-33-16-6-3-7-17-33)26-15-23-34-18-8-4-9-19-34/h3-13,16-21,24,27-29,32,37,40-41H,14-15,22-23,25-26,30-31H2,1-2H3,(H,45,47)