3-(azepan-1-yl)-N-(4-bromanyl-2-fluoranyl-phenyl)-1,4-bis(oxidanylidene)naphthalene-2-sulfonamide

Systemtic Name: 3-(azepan-1-yl)-N-(4-bromanyl-2-fluoranyl-phenyl)-1,4-bis(oxidanylidene)naphthalene-2-sulfonamide Openeye Name: 3-(azepan-1-yl)-N-(4-bromo-2-fluoro-phenyl)-1,4-dioxo-naphthalene-2-sulfonamide CAS Name: 3-(1-azepanyl)-N-(4-bromo-2-fluorophenyl)-1,4-dioxo-2-naphthalenesulfonamide IUPAC Name: 3-(azepan-1-yl)-N-(4-bromo-2-fluorophenyl)-1,4-dioxonaphthalene-2-sulfonamide Traditional Name: 3-(azepan-1-yl)-N-(4-bromo-2-fluoro-phenyl)-1,4-diketo-naphthalene-2-sulfonamide Formula: C22H20BrFN2O4S MolecularWeight: 507.372603

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)NC4=C(C=C(C=C4)Br)F

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)NC4=C(C=C(C=C4)Br)F

InChI

InChI=1S/C22H20BrFN2O4S/c23-14-9-10-18(17(24)13-14)25-31(29,30)22-19(26-11-5-1-2-6-12-26)20(27)15-7-3-4-8-16(15)21(22)28/h3-4,7-10,13,25H,1-2,5-6,11-12H2