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

Systemtic Name: 2-(3-nitrophenyl)sulfonyl-8a-(phenylmethyl)-3,4,7,8-tetrahydro-1H-isoquinolin-6-one Openeye Name: 8a-benzyl-2-(3-nitrophenyl)sulfonyl-3,4,7,8-tetrahydro-1H-isoquinolin-6-one CAS Name: 2-(3-nitrophenyl)sulfonyl-8a-(phenylmethyl)-3,4,7,8-tetrahydro-1H-isoquinolin-6-one IUPAC Name: 8a-benzyl-2-(3-nitrophenyl)sulfonyl-3,4,7,8-tetrahydro-1H-isoquinolin-6-one Traditional Name: 8a-benzyl-2-(3-nitrophenyl)sulfonyl-3,4,7,8-tetrahydro-1H-isoquinolin-6-one Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CN(CCC2=CC1=O)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

C1CC2(CN(CCC2=CC1=O)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C22H22N2O5S/c25-20-9-11-22(15-17-5-2-1-3-6-17)16-23(12-10-18(22)13-20)30(28,29)21-8-4-7-19(14-21)24(26)27/h1-8,13-14H,9-12,15-16H2