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

Systemtic Name: 2-(3,4-dimethoxyphenyl)sulfonyl-8a-(phenylmethyl)-3,4,7,8-tetrahydro-1H-isoquinolin-6-one Openeye Name: 8a-benzyl-2-(3,4-dimethoxyphenyl)sulfonyl-3,4,7,8-tetrahydro-1H-isoquinolin-6-one CAS Name: 2-(3,4-dimethoxyphenyl)sulfonyl-8a-(phenylmethyl)-3,4,7,8-tetrahydro-1H-isoquinolin-6-one IUPAC Name: 8a-benzyl-2-(3,4-dimethoxyphenyl)sulfonyl-3,4,7,8-tetrahydro-1H-isoquinolin-6-one Traditional Name: 8a-benzyl-2-(3,4-dimethoxyphenyl)sulfonyl-3,4,7,8-tetrahydro-1H-isoquinolin-6-one Formula: C24H27NO5S MolecularWeight: 441.53988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27NO5S/c1-29-22-9-8-21(15-23(22)30-2)31(27,28)25-13-11-19-14-20(26)10-12-24(19,17-25)16-18-6-4-3-5-7-18/h3-9,14-15H,10-13,16-17H2,1-2H3