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

Systemtic Name: 2-(4-tert-butylphenyl)sulfonyl-8a-[(4-piperidin-1-ylphenyl)methyl]-3,4,7,8-tetrahydro-1H-isoquinolin-6-one Openeye Name: 2-(4-tert-butylphenyl)sulfonyl-8a-[[4-(1-piperidyl)phenyl]methyl]-3,4,7,8-tetrahydro-1H-isoquinolin-6-one CAS Name: 2-(4-tert-butylphenyl)sulfonyl-8a-[[4-(1-piperidinyl)phenyl]methyl]-3,4,7,8-tetrahydro-1H-isoquinolin-6-one IUPAC Name: 2-(4-tert-butylphenyl)sulfonyl-8a-[(4-piperidin-1-ylphenyl)methyl]-3,4,7,8-tetrahydro-1H-isoquinolin-6-one Traditional Name: 2-(4-tert-butylphenyl)sulfonyl-8a-(4-piperidinobenzyl)-3,4,7,8-tetrahydro-1H-isoquinolin-6-one Formula: C31H40N2O3S MolecularWeight: 520.7259

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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)N5CCCCC5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC(=O)CCC3(C2)CC4=CC=C(C=C4)N5CCCCC5

InChI

InChI=1S/C31H40N2O3S/c1-30(2,3)25-9-13-29(14-10-25)37(35,36)33-20-16-26-21-28(34)15-17-31(26,23-33)22-24-7-11-27(12-8-24)32-18-5-4-6-19-32/h7-14,21H,4-6,15-20,22-23H2,1-3H3