2-(3-chlorophenyl)sulfonyl-8a-(phenylmethyl)-3,4,7,8-tetrahydro-1H-isoquinolin-6-one

Systemtic Name: 2-(3-chlorophenyl)sulfonyl-8a-(phenylmethyl)-3,4,7,8-tetrahydro-1H-isoquinolin-6-one Openeye Name: 8a-benzyl-2-(3-chlorophenyl)sulfonyl-3,4,7,8-tetrahydro-1H-isoquinolin-6-one CAS Name: 2-(3-chlorophenyl)sulfonyl-8a-(phenylmethyl)-3,4,7,8-tetrahydro-1H-isoquinolin-6-one IUPAC Name: 8a-benzyl-2-(3-chlorophenyl)sulfonyl-3,4,7,8-tetrahydro-1H-isoquinolin-6-one Traditional Name: 8a-benzyl-2-(3-chlorophenyl)sulfonyl-3,4,7,8-tetrahydro-1H-isoquinolin-6-one Formula: C22H22ClNO3S MolecularWeight: 415.93298

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CN(CCC2=CC1=O)S(=O)(=O)C3=CC(=CC=C3)Cl)CC4=CC=CC=C4

Isomeric SMILES

C1CC2(CN(CCC2=CC1=O)S(=O)(=O)C3=CC(=CC=C3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C22H22ClNO3S/c23-19-7-4-8-21(14-19)28(26,27)24-12-10-18-13-20(25)9-11-22(18,16-24)15-17-5-2-1-3-6-17/h1-8,13-14H,9-12,15-16H2