2-(4-methylsulfonyl-2-nitro-phenyl)-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-(4-methylsulfonyl-2-nitro-phenyl)-3,4-dihydro-1H-isoquinoline Openeye Name: 2-(4-methylsulfonyl-2-nitro-phenyl)-3,4-dihydro-1H-isoquinoline CAS Name: 2-(4-methylsulfonyl-2-nitrophenyl)-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-(4-methylsulfonyl-2-nitrophenyl)-3,4-dihydro-1H-isoquinoline Traditional Name: 2-(4-mesyl-2-nitro-phenyl)-3,4-dihydro-1H-isoquinoline Formula: C16H16N2O4S MolecularWeight: 332.37424

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O4S/c1-23(21,22)14-6-7-15(16(10-14)18(19)20)17-9-8-12-4-2-3-5-13(12)11-17/h2-7,10H,8-9,11H2,1H3