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

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-1,4-bis(oxidanylidene)-3-piperidin-1-yl-naphthalene-2-sulfonamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-1,4-dioxo-3-(1-piperidyl)naphthalene-2-sulfonamide CAS Name: N-(4-bromo-2-fluorophenyl)-1,4-dioxo-3-(1-piperidinyl)-2-naphthalenesulfonamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-1,4-dioxo-3-piperidin-1-ylnaphthalene-2-sulfonamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-1,4-diketo-3-piperidino-naphthalene-2-sulfonamide Formula: C21H18BrFN2O4S MolecularWeight: 493.346023

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)NC4=C(C=C(C=C4)Br)F

Isomeric SMILES

C1CCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)NC4=C(C=C(C=C4)Br)F

InChI

InChI=1S/C21H18BrFN2O4S/c22-13-8-9-17(16(23)12-13)24-30(28,29)21-18(25-10-4-1-5-11-25)19(26)14-6-2-3-7-15(14)20(21)27/h2-3,6-9,12,24H,1,4-5,10-11H2