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

Systemtic Name: 7-methoxy-2-(4-methylphenyl)sulfonyl-8-phenylmethoxy-3,4-dihydro-1H-isoquinoline-3-carbonitrile Openeye Name: 8-benzyloxy-7-methoxy-2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carbonitrile CAS Name: 7-methoxy-2-(4-methylphenyl)sulfonyl-8-phenylmethoxy-3,4-dihydro-1H-isoquinoline-3-carbonitrile IUPAC Name: 7-methoxy-2-(4-methylphenyl)sulfonyl-8-phenylmethoxy-3,4-dihydro-1H-isoquinoline-3-carbonitrile Traditional Name: 8-benzoxy-7-methoxy-2-tosyl-3,4-dihydro-1H-isoquinoline-3-carbonitrile Formula: C25H24N2O4S MolecularWeight: 448.53406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(CC2C#N)C=CC(=C3OCC4=CC=CC=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(CC2C#N)C=CC(=C3OCC4=CC=CC=C4)OC

InChI

InChI=1S/C25H24N2O4S/c1-18-8-11-22(12-9-18)32(28,29)27-16-23-20(14-21(27)15-26)10-13-24(30-2)25(23)31-17-19-6-4-3-5-7-19/h3-13,21H,14,16-17H2,1-2H3