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

Systemtic Name: 2-(4-phenoxyphenyl)sulfonyl-8a-(phenylmethyl)-3,4,7,8-tetrahydro-1H-isoquinolin-6-one Openeye Name: 8a-benzyl-2-(4-phenoxyphenyl)sulfonyl-3,4,7,8-tetrahydro-1H-isoquinolin-6-one CAS Name: 2-(4-phenoxyphenyl)sulfonyl-8a-(phenylmethyl)-3,4,7,8-tetrahydro-1H-isoquinolin-6-one IUPAC Name: 8a-benzyl-2-(4-phenoxyphenyl)sulfonyl-3,4,7,8-tetrahydro-1H-isoquinolin-6-one Traditional Name: 8a-benzyl-2-(4-phenoxyphenyl)sulfonyl-3,4,7,8-tetrahydro-1H-isoquinolin-6-one Formula: C28H27NO4S MolecularWeight: 473.58328

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CN(CCC2=CC1=O)S(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CC2(CN(CCC2=CC1=O)S(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C28H27NO4S/c30-24-15-17-28(20-22-7-3-1-4-8-22)21-29(18-16-23(28)19-24)34(31,32)27-13-11-26(12-14-27)33-25-9-5-2-6-10-25/h1-14,19H,15-18,20-21H2