4a-chloranyl-1-(2-chlorophenyl)-2-(phenylsulfonyl)-1,3,4,5,6,7,8,8a-octahydroisoquinoline

Systemtic Name: 4a-chloranyl-1-(2-chlorophenyl)-2-(phenylsulfonyl)-1,3,4,5,6,7,8,8a-octahydroisoquinoline Openeye Name: 2-(benzenesulfonyl)-4a-chloro-1-(2-chlorophenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinoline CAS Name: 2-(benzenesulfonyl)-4a-chloro-1-(2-chlorophenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinoline IUPAC Name: 2-(benzenesulfonyl)-4a-chloro-1-(2-chlorophenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinoline Traditional Name: 2-besyl-4a-chloro-1-(2-chlorophenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinoline Formula: C21H23Cl2NO2S MolecularWeight: 424.38382

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CCN(C(C2C1)C3=CC=CC=C3Cl)S(=O)(=O)C4=CC=CC=C4)Cl

Isomeric SMILES

C1CCC2(CCN(C(C2C1)C3=CC=CC=C3Cl)S(=O)(=O)C4=CC=CC=C4)Cl

InChI

InChI=1S/C21H23Cl2NO2S/c22-19-12-5-4-10-17(19)20-18-11-6-7-13-21(18,23)14-15-24(20)27(25,26)16-8-2-1-3-9-16/h1-5,8-10,12,18,20H,6-7,11,13-15H2