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

Systemtic Name: 2-(4-tert-butylphenyl)sulfonyl-8a-[(4-pyridin-4-ylphenyl)methyl]-3,4,7,8-tetrahydro-1H-isoquinolin-6-one Openeye Name: 2-(4-tert-butylphenyl)sulfonyl-8a-[[4-(4-pyridyl)phenyl]methyl]-3,4,7,8-tetrahydro-1H-isoquinolin-6-one CAS Name: 2-(4-tert-butylphenyl)sulfonyl-8a-[(4-pyridin-4-ylphenyl)methyl]-3,4,7,8-tetrahydro-1H-isoquinolin-6-one IUPAC Name: 2-(4-tert-butylphenyl)sulfonyl-8a-[(4-pyridin-4-ylphenyl)methyl]-3,4,7,8-tetrahydro-1H-isoquinolin-6-one Traditional Name: 2-(4-tert-butylphenyl)sulfonyl-8a-[4-(4-pyridyl)benzyl]-3,4,7,8-tetrahydro-1H-isoquinolin-6-one Formula: C31H34N2O3S MolecularWeight: 514.67826

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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)C5=CC=NC=C5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC(=O)CCC3(C2)CC4=CC=C(C=C4)C5=CC=NC=C5

InChI

InChI=1S/C31H34N2O3S/c1-30(2,3)26-8-10-29(11-9-26)37(35,36)33-19-15-27-20-28(34)12-16-31(27,22-33)21-23-4-6-24(7-5-23)25-13-17-32-18-14-25/h4-11,13-14,17-18,20H,12,15-16,19,21-22H2,1-3H3