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

Systemtic Name: 2-(4-tert-butylphenyl)sulfonyl-8a-[(4-dimethylaminophenyl)methyl]-3,4,7,8-tetrahydro-1H-isoquinolin-6-one Openeye Name: 2-(4-tert-butylphenyl)sulfonyl-8a-[(4-dimethylaminophenyl)methyl]-3,4,7,8-tetrahydro-1H-isoquinolin-6-one CAS Name: 2-(4-tert-butylphenyl)sulfonyl-8a-[(4-dimethylaminophenyl)methyl]-3,4,7,8-tetrahydro-1H-isoquinolin-6-one IUPAC Name: 2-(4-tert-butylphenyl)sulfonyl-8a-[(4-dimethylaminophenyl)methyl]-3,4,7,8-tetrahydro-1H-isoquinolin-6-one Traditional Name: 2-(4-tert-butylphenyl)sulfonyl-8a-[4-(dimethylamino)benzyl]-3,4,7,8-tetrahydro-1H-isoquinolin-6-one Formula: C28H36N2O3S MolecularWeight: 480.66204

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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)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C28H36N2O3S/c1-27(2,3)22-8-12-26(13-9-22)34(32,33)30-17-15-23-18-25(31)14-16-28(23,20-30)19-21-6-10-24(11-7-21)29(4)5/h6-13,18H,14-17,19-20H2,1-5H3