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

Systemtic Name: 2-(3-methoxyphenyl)sulfonyl-8a-(phenylmethyl)-3,4,7,8-tetrahydro-1H-isoquinolin-6-one Openeye Name: 8a-benzyl-2-(3-methoxyphenyl)sulfonyl-3,4,7,8-tetrahydro-1H-isoquinolin-6-one CAS Name: 2-(3-methoxyphenyl)sulfonyl-8a-(phenylmethyl)-3,4,7,8-tetrahydro-1H-isoquinolin-6-one IUPAC Name: 8a-benzyl-2-(3-methoxyphenyl)sulfonyl-3,4,7,8-tetrahydro-1H-isoquinolin-6-one Traditional Name: 8a-benzyl-2-(3-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(=CC=C1)S(=O)(=O)N2CCC3=CC(=O)CCC3(C2)CC4=CC=CC=C4

Isomeric SMILES

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

InChI

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