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

Systemtic Name: 2-(4-tert-butylphenyl)sulfonyl-8a-[(4-nitrophenyl)methyl]-3,4,7,8-tetrahydro-1H-isoquinolin-6-one Openeye Name: 2-(4-tert-butylphenyl)sulfonyl-8a-[(4-nitrophenyl)methyl]-3,4,7,8-tetrahydro-1H-isoquinolin-6-one CAS Name: 2-(4-tert-butylphenyl)sulfonyl-8a-[(4-nitrophenyl)methyl]-3,4,7,8-tetrahydro-1H-isoquinolin-6-one IUPAC Name: 2-(4-tert-butylphenyl)sulfonyl-8a-[(4-nitrophenyl)methyl]-3,4,7,8-tetrahydro-1H-isoquinolin-6-one Traditional Name: 2-(4-tert-butylphenyl)sulfonyl-8a-(4-nitrobenzyl)-3,4,7,8-tetrahydro-1H-isoquinolin-6-one Formula: C26H30N2O5S MolecularWeight: 482.5918

Click to see the large picture

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+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC(=O)CCC3(C2)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H30N2O5S/c1-25(2,3)20-6-10-24(11-7-20)34(32,33)27-15-13-21-16-23(29)12-14-26(21,18-27)17-19-4-8-22(9-5-19)28(30)31/h4-11,16H,12-15,17-18H2,1-3H3