2-fluoranyl-N-(2-methoxy-5-methyl-phenyl)-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-benzamide

Systemtic Name: 2-fluoranyl-N-(2-methoxy-5-methyl-phenyl)-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-benzamide Openeye Name: 5-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-2-fluoro-N-(2-methoxy-5-methyl-phenyl)benzamide CAS Name: 2-fluoro-N-(2-methoxy-5-methylphenyl)-5-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]benzamide IUPAC Name: 5-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-2-fluoro-N-(2-methoxy-5-methylphenyl)benzamide Traditional Name: 5-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-2-fluoro-N-(2-methoxy-5-methyl-phenyl)benzamide Formula: C26H29FN3O4S+ MolecularWeight: 498.589563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)F

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)F

InChI

InChI=1S/C26H28FN3O4S/c1-19-8-11-25(34-2)24(16-19)28-26(31)22-17-21(9-10-23(22)27)35(32,33)30-14-12-29(13-15-30)18-20-6-4-3-5-7-20/h3-11,16-17H,12-15,18H2,1-2H3,(H,28,31)/p+1