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

Systemtic Name: 2-(4-methoxyphenyl)sulfonyl-8a-(phenylmethyl)-3,4,7,8-tetrahydro-1H-isoquinolin-6-one Openeye Name: 8a-benzyl-2-(4-methoxyphenyl)sulfonyl-3,4,7,8-tetrahydro-1H-isoquinolin-6-one CAS Name: 2-(4-methoxyphenyl)sulfonyl-8a-(phenylmethyl)-3,4,7,8-tetrahydro-1H-isoquinolin-6-one IUPAC Name: 8a-benzyl-2-(4-methoxyphenyl)sulfonyl-3,4,7,8-tetrahydro-1H-isoquinolin-6-one Traditional Name: 8a-benzyl-2-(4-methoxyphenyl)sulfonyl-3,4,7,8-tetrahydro-1H-isoquinolin-6-one Formula: C23H25NO4S MolecularWeight: 411.5139

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC(=O)CCC3(C2)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC(=O)CCC3(C2)CC4=CC=CC=C4

InChI

InChI=1S/C23H25NO4S/c1-28-21-7-9-22(10-8-21)29(26,27)24-14-12-19-15-20(25)11-13-23(19,17-24)16-18-5-3-2-4-6-18/h2-10,15H,11-14,16-17H2,1H3