N-(4-fluorophenyl)-2-[4-(2-methoxy-5-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-fluorophenyl)-2-[4-(2-methoxy-5-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-fluorophenyl)-2-[4-(2-methoxy-5-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(4-fluorophenyl)-2-[4-(2-methoxy-5-methylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-fluorophenyl)-2-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-fluorophenyl)-2-[4-(2-methoxy-5-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C20H25FN3O4S+ MolecularWeight: 422.493603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C20H24FN3O4S/c1-15-3-8-18(28-2)19(13-15)29(26,27)24-11-9-23(10-12-24)14-20(25)22-17-6-4-16(21)5-7-17/h3-8,13H,9-12,14H2,1-2H3,(H,22,25)/p+1