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

Systemtic Name: 2-(4-methylphenyl)sulfonyl-8a-(phenylmethyl)-3,4,7,8-tetrahydro-1H-isoquinolin-6-one Openeye Name: 8a-benzyl-2-(p-tolylsulfonyl)-3,4,7,8-tetrahydro-1H-isoquinolin-6-one CAS Name: 2-(4-methylphenyl)sulfonyl-8a-(phenylmethyl)-3,4,7,8-tetrahydro-1H-isoquinolin-6-one IUPAC Name: 8a-benzyl-2-(4-methylphenyl)sulfonyl-3,4,7,8-tetrahydro-1H-isoquinolin-6-one Traditional Name: 8a-benzyl-2-tosyl-3,4,7,8-tetrahydro-1H-isoquinolin-6-one Formula: C23H25NO3S MolecularWeight: 395.5145

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC(=O)CCC3(C2)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC(=O)CCC3(C2)CC4=CC=CC=C4

InChI

InChI=1S/C23H25NO3S/c1-18-7-9-22(10-8-18)28(26,27)24-14-12-20-15-21(25)11-13-23(20,17-24)16-19-5-3-2-4-6-19/h2-10,15H,11-14,16-17H2,1H3