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

Systemtic Name: 2-(4-fluoranyl-3-nitro-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline Openeye Name: 2-(4-fluoro-3-nitro-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline CAS Name: 2-(4-fluoro-3-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-(4-fluoro-3-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline Traditional Name: 2-(4-fluoro-3-nitro-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline Formula: C15H13FN2O4S MolecularWeight: 336.338123

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC(=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC(=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C15H13FN2O4S/c16-14-6-5-13(9-15(14)18(19)20)23(21,22)17-8-7-11-3-1-2-4-12(11)10-17/h1-6,9H,7-8,10H2