2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methyl-4-pyrrolidin-1-yl-phenyl)ethanamide

Systemtic Name: 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methyl-4-pyrrolidin-1-yl-phenyl)ethanamide Openeye Name: 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methyl-4-pyrrolidin-1-yl-phenyl)acetamide CAS Name: 2-[4-(3-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-[2-methyl-4-(1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide Traditional Name: 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methyl-4-pyrrolidino-phenyl)acetamide Formula: C23H30FN4O3S+ MolecularWeight: 461.572703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)F

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)F

InChI

InChI=1S/C23H29FN4O3S/c1-18-15-20(27-9-2-3-10-27)7-8-22(18)25-23(29)17-26-11-13-28(14-12-26)32(30,31)21-6-4-5-19(24)16-21/h4-8,15-16H,2-3,9-14,17H2,1H3,(H,25,29)/p+1