2-[4-[3-[(3-fluoranyl-4-methyl-phenyl)sulfonylamino]phenyl]carbonylpiperazin-1-ium-1-yl]-N,N-dimethyl-ethanamide

Systemtic Name: 2-[4-[3-[(3-fluoranyl-4-methyl-phenyl)sulfonylamino]phenyl]carbonylpiperazin-1-ium-1-yl]-N,N-dimethyl-ethanamide Openeye Name: 2-[4-[3-[(3-fluoro-4-methyl-phenyl)sulfonylamino]benzoyl]piperazin-1-ium-1-yl]-N,N-dimethyl-acetamide CAS Name: 2-[4-[[3-[(3-fluoro-4-methylphenyl)sulfonylamino]phenyl]-oxomethyl]-1-piperazin-1-iumyl]-N,N-dimethylacetamide IUPAC Name: 2-[4-[3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzoyl]piperazin-1-ium-1-yl]-N,N-dimethylacetamide Traditional Name: 2-[4-[3-[(3-fluoro-4-methyl-phenyl)sulfonylamino]benzoyl]piperazin-1-ium-1-yl]-N,N-dimethyl-acetamide Formula: C22H28FN4O4S+ MolecularWeight: 463.545523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)N3CC[NH+](CC3)CC(=O)N(C)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)N3CC[NH+](CC3)CC(=O)N(C)C)F

InChI

InChI=1S/C22H27FN4O4S/c1-16-7-8-19(14-20(16)23)32(30,31)24-18-6-4-5-17(13-18)22(29)27-11-9-26(10-12-27)15-21(28)25(2)3/h4-8,13-14,24H,9-12,15H2,1-3H3/p+1