9-fluoranyl-2-(phenylsulfonyl)-3,4,5,6-tetrahydro-1H-azepino[4,3-b]indole

Systemtic Name: 9-fluoranyl-2-(phenylsulfonyl)-3,4,5,6-tetrahydro-1H-azepino[4,3-b]indole Openeye Name: 2-(benzenesulfonyl)-9-fluoro-3,4,5,6-tetrahydro-1H-azepino[4,3-b]indole CAS Name: 2-(benzenesulfonyl)-9-fluoro-3,4,5,6-tetrahydro-1H-azepino[4,3-b]indole IUPAC Name: 2-(benzenesulfonyl)-9-fluoro-3,4,5,6-tetrahydro-1H-azepino[4,3-b]indole Traditional Name: 2-besyl-9-fluoro-3,4,5,6-tetrahydro-1H-azepin[4,3-b]indole Formula: C18H17FN2O2S MolecularWeight: 344.403183

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(CN(C1)S(=O)(=O)C3=CC=CC=C3)C4=C(N2)C=CC(=C4)F

Isomeric SMILES

C1CC2=C(CN(C1)S(=O)(=O)C3=CC=CC=C3)C4=C(N2)C=CC(=C4)F

InChI

InChI=1S/C18H17FN2O2S/c19-13-8-9-18-15(11-13)16-12-21(10-4-7-17(16)20-18)24(22,23)14-5-2-1-3-6-14/h1-3,5-6,8-9,11,20H,4,7,10,12H2