3-methylsulfanyl-1-phenyl-8-(phenylsulfonyl)-5,6,7,8-tetrahydroisoquinoline

Systemtic Name: 3-methylsulfanyl-1-phenyl-8-(phenylsulfonyl)-5,6,7,8-tetrahydroisoquinoline Openeye Name: 8-(benzenesulfonyl)-3-methylsulfanyl-1-phenyl-5,6,7,8-tetrahydroisoquinoline CAS Name: 8-(benzenesulfonyl)-3-(methylthio)-1-phenyl-5,6,7,8-tetrahydroisoquinoline IUPAC Name: 8-(benzenesulfonyl)-3-methylsulfanyl-1-phenyl-5,6,7,8-tetrahydroisoquinoline Traditional Name: 8-besyl-3-(methylthio)-1-phenyl-5,6,7,8-tetrahydroisoquinoline Formula: C22H21NO2S2 MolecularWeight: 395.53764

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C2C(CCCC2=C1)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CSC1=NC(=C2C(CCCC2=C1)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H21NO2S2/c1-26-20-15-17-11-8-14-19(27(24,25)18-12-6-3-7-13-18)21(17)22(23-20)16-9-4-2-5-10-16/h2-7,9-10,12-13,15,19H,8,11,14H2,1H3