6,7-dimethoxy-2-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline

Systemtic Name: 6,7-dimethoxy-2-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[4-(1,1-dimethylpropyl)phenyl]sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline CAS Name: 6,7-dimethoxy-2-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline IUPAC Name: 6,7-dimethoxy-2-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline Traditional Name: 2-(4-tert-amylphenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Formula: C22H29NO4S MolecularWeight: 403.53496

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC(=C(C=C3C2)OC)OC

Isomeric SMILES

CCC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC(=C(C=C3C2)OC)OC

InChI

InChI=1S/C22H29NO4S/c1-6-22(2,3)18-7-9-19(10-8-18)28(24,25)23-12-11-16-13-20(26-4)21(27-5)14-17(16)15-23/h7-10,13-14H,6,11-12,15H2,1-5H3