N-(4-bromanyl-2-fluoranyl-phenyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: N-(4-bromo-2-fluorophenyl)-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C18H20BrFN3O3S+ MolecularWeight: 457.337103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C18H19BrFN3O3S/c1-22-7-9-23(10-8-22)27(25,26)15-4-2-3-13(11-15)18(24)21-17-6-5-14(19)12-16(17)20/h2-6,11-12H,7-10H2,1H3,(H,21,24)/p+1