(E)-3-(5-bromanyl-2-fluoranyl-phenyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]prop-2-enamide

Systemtic Name: (E)-3-(5-bromanyl-2-fluoranyl-phenyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]prop-2-enamide Openeye Name: (E)-3-(5-bromo-2-fluoro-phenyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]prop-2-enamide CAS Name: (E)-3-(5-bromo-2-fluorophenyl)-N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-2-propenamide IUPAC Name: (E)-3-(5-bromo-2-fluorophenyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]prop-2-enamide Traditional Name: (E)-3-(5-bromo-2-fluoro-phenyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]acrylamide Formula: C20H22BrFN3O3S+ MolecularWeight: 483.374383

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C=CC3=C(C=CC(=C3)Br)F

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)/C=C/C3=C(C=CC(=C3)Br)F

InChI

InChI=1S/C20H21BrFN3O3S/c1-24-10-12-25(13-11-24)29(27,28)18-6-4-17(5-7-18)23-20(26)9-2-15-14-16(21)3-8-19(15)22/h2-9,14H,10-13H2,1H3,(H,23,26)/p+1/b9-2+