(1S)-1-(3,4-dimethoxyphenyl)-2-ethylsulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline

Systemtic Name: (1S)-1-(3,4-dimethoxyphenyl)-2-ethylsulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Openeye Name: (1S)-1-(3,4-dimethoxyphenyl)-2-ethylsulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline CAS Name: (1S)-1-(3,4-dimethoxyphenyl)-2-ethylsulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline IUPAC Name: (1S)-1-(3,4-dimethoxyphenyl)-2-ethylsulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Traditional Name: (1S)-1-(3,4-dimethoxyphenyl)-2-esyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Formula: C21H27NO6S MolecularWeight: 421.50718

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC2=CC(=C(C=C2C1C3=CC(=C(C=C3)OC)OC)OC)OC

Isomeric SMILES

CCS(=O)(=O)N1CCC2=CC(=C(C=C2[C@@H]1C3=CC(=C(C=C3)OC)OC)OC)OC

InChI

InChI=1S/C21H27NO6S/c1-6-29(23,24)22-10-9-14-11-19(27-4)20(28-5)13-16(14)21(22)15-7-8-17(25-2)18(12-15)26-3/h7-8,11-13,21H,6,9-10H2,1-5H3/t21-/m0/s1