(1S)-6,7-dimethoxy-2-(phenylsulfonyl)-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline

Systemtic Name: (1S)-6,7-dimethoxy-2-(phenylsulfonyl)-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline Openeye Name: (1S)-2-(benzenesulfonyl)-6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinoline CAS Name: (1S)-2-(benzenesulfonyl)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline IUPAC Name: (1S)-2-(benzenesulfonyl)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline Traditional Name: (1S)-2-besyl-6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinoline Formula: C21H21NO4S2 MolecularWeight: 415.52574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)S(=O)(=O)C3=CC=CC=C3)C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C2[C@H](N(CCC2=C1)S(=O)(=O)C3=CC=CC=C3)C4=CC=CS4)OC

InChI

InChI=1S/C21H21NO4S2/c1-25-18-13-15-10-11-22(28(23,24)16-7-4-3-5-8-16)21(20-9-6-12-27-20)17(15)14-19(18)26-2/h3-9,12-14,21H,10-11H2,1-2H3/t21-/m0/s1