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

Systemtic Name: 2-(4-fluorophenyl)sulfonyl-8a-(phenylmethyl)-3,4,7,8-tetrahydro-1H-isoquinolin-6-one Openeye Name: 8a-benzyl-2-(4-fluorophenyl)sulfonyl-3,4,7,8-tetrahydro-1H-isoquinolin-6-one CAS Name: 2-(4-fluorophenyl)sulfonyl-8a-(phenylmethyl)-3,4,7,8-tetrahydro-1H-isoquinolin-6-one IUPAC Name: 8a-benzyl-2-(4-fluorophenyl)sulfonyl-3,4,7,8-tetrahydro-1H-isoquinolin-6-one Traditional Name: 8a-benzyl-2-(4-fluorophenyl)sulfonyl-3,4,7,8-tetrahydro-1H-isoquinolin-6-one Formula: C22H22FNO3S MolecularWeight: 399.478383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22FNO3S/c23-19-6-8-21(9-7-19)28(26,27)24-13-11-18-14-20(25)10-12-22(18,16-24)15-17-4-2-1-3-5-17/h1-9,14H,10-13,15-16H2