8a-[(4-bromophenyl)methyl]-2-(4-tert-butylphenyl)sulfonyl-3,4,7,8-tetrahydro-1H-isoquinolin-6-one

Systemtic Name: 8a-[(4-bromophenyl)methyl]-2-(4-tert-butylphenyl)sulfonyl-3,4,7,8-tetrahydro-1H-isoquinolin-6-one Openeye Name: 8a-[(4-bromophenyl)methyl]-2-(4-tert-butylphenyl)sulfonyl-3,4,7,8-tetrahydro-1H-isoquinolin-6-one CAS Name: 8a-[(4-bromophenyl)methyl]-2-(4-tert-butylphenyl)sulfonyl-3,4,7,8-tetrahydro-1H-isoquinolin-6-one IUPAC Name: 8a-[(4-bromophenyl)methyl]-2-(4-tert-butylphenyl)sulfonyl-3,4,7,8-tetrahydro-1H-isoquinolin-6-one Traditional Name: 8a-(4-bromobenzyl)-2-(4-tert-butylphenyl)sulfonyl-3,4,7,8-tetrahydro-1H-isoquinolin-6-one Formula: C26H30BrNO3S MolecularWeight: 516.4903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30BrNO3S/c1-25(2,3)20-6-10-24(11-7-20)32(30,31)28-15-13-21-16-23(29)12-14-26(21,18-28)17-19-4-8-22(27)9-5-19/h4-11,16H,12-15,17-18H2,1-3H3