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

Systemtic Name: N-(4-fluoranyl-2-methyl-phenyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: N-(4-fluoro-2-methyl-phenyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: N-(4-fluoro-2-methylphenyl)-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: N-(4-fluoro-2-methylphenyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: N-(4-fluoro-2-methyl-phenyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C19H23FN3O3S+ MolecularWeight: 392.467623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=C(C=CC(=C1)F)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C19H22FN3O3S/c1-14-12-16(20)6-7-18(14)21-19(24)15-4-3-5-17(13-15)27(25,26)23-10-8-22(2)9-11-23/h3-7,12-13H,8-11H2,1-2H3,(H,21,24)/p+1