(1R,3R)-7-methoxy-6-methyl-2-(4-methylphenyl)sulfonyl-8-phenylmethoxy-1-(phenylmethoxymethyl)-3,4-dihydro-1H-isoquinoline-3-carbonitrile

Systemtic Name: (1R,3R)-7-methoxy-6-methyl-2-(4-methylphenyl)sulfonyl-8-phenylmethoxy-1-(phenylmethoxymethyl)-3,4-dihydro-1H-isoquinoline-3-carbonitrile Openeye Name: (1R,3R)-8-benzyloxy-1-(benzyloxymethyl)-7-methoxy-6-methyl-2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carbonitrile CAS Name: (1R,3R)-7-methoxy-6-methyl-2-(4-methylphenyl)sulfonyl-8-phenylmethoxy-1-(phenylmethoxymethyl)-3,4-dihydro-1H-isoquinoline-3-carbonitrile IUPAC Name: (1R,3R)-7-methoxy-6-methyl-2-(4-methylphenyl)sulfonyl-8-phenylmethoxy-1-(phenylmethoxymethyl)-3,4-dihydro-1H-isoquinoline-3-carbonitrile Traditional Name: (1R,3R)-8-benzoxy-1-(benzoxymethyl)-7-methoxy-6-methyl-2-tosyl-3,4-dihydro-1H-isoquinoline-3-carbonitrile Formula: C34H34N2O5S MolecularWeight: 582.70916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(CC3=CC(=C(C(=C3C2COCC4=CC=CC=C4)OCC5=CC=CC=C5)OC)C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2[C@H](CC3=CC(=C(C(=C3[C@@H]2COCC4=CC=CC=C4)OCC5=CC=CC=C5)OC)C)C#N

InChI

InChI=1S/C34H34N2O5S/c1-24-14-16-30(17-15-24)42(37,38)36-29(20-35)19-28-18-25(2)33(39-3)34(41-22-27-12-8-5-9-13-27)32(28)31(36)23-40-21-26-10-6-4-7-11-26/h4-18,29,31H,19,21-23H2,1-3H3/t29-,31+/m1/s1