(8aS)-2-(4-tert-butylphenyl)sulfonyl-8a-(phenylmethyl)-3,4,7,8-tetrahydro-1H-isoquinolin-6-one

Systemtic Name: (8aS)-2-(4-tert-butylphenyl)sulfonyl-8a-(phenylmethyl)-3,4,7,8-tetrahydro-1H-isoquinolin-6-one Openeye Name: (8aS)-8a-benzyl-2-(4-tert-butylphenyl)sulfonyl-3,4,7,8-tetrahydro-1H-isoquinolin-6-one CAS Name: (8aS)-2-(4-tert-butylphenyl)sulfonyl-8a-(phenylmethyl)-3,4,7,8-tetrahydro-1H-isoquinolin-6-one IUPAC Name: (8aS)-8a-benzyl-2-(4-tert-butylphenyl)sulfonyl-3,4,7,8-tetrahydro-1H-isoquinolin-6-one Traditional Name: (8aS)-8a-benzyl-2-(4-tert-butylphenyl)sulfonyl-3,4,7,8-tetrahydro-1H-isoquinolin-6-one Formula: C26H31NO3S MolecularWeight: 437.59424

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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=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC(=O)CC[C@]3(C2)CC4=CC=CC=C4

InChI

InChI=1S/C26H31NO3S/c1-25(2,3)21-9-11-24(12-10-21)31(29,30)27-16-14-22-17-23(28)13-15-26(22,19-27)18-20-7-5-4-6-8-20/h4-12,17H,13-16,18-19H2,1-3H3/t26-/m1/s1