3-(4-cyclohexylpiperazin-4-ium-1-yl)sulfonyl-4-fluoranyl-N-(3-methylphenyl)benzamide

Systemtic Name: 3-(4-cyclohexylpiperazin-4-ium-1-yl)sulfonyl-4-fluoranyl-N-(3-methylphenyl)benzamide Openeye Name: 3-(4-cyclohexylpiperazin-4-ium-1-yl)sulfonyl-4-fluoro-N-(m-tolyl)benzamide CAS Name: 3-[(4-cyclohexyl-1-piperazin-4-iumyl)sulfonyl]-4-fluoro-N-(3-methylphenyl)benzamide IUPAC Name: 3-(4-cyclohexylpiperazin-4-ium-1-yl)sulfonyl-4-fluoro-N-(3-methylphenyl)benzamide Traditional Name: 3-(4-cyclohexylpiperazin-4-ium-1-yl)sulfonyl-4-fluoro-N-(m-tolyl)benzamide Formula: C24H31FN3O3S+ MolecularWeight: 460.584643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CC[NH+](CC3)C4CCCCC4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CC[NH+](CC3)C4CCCCC4

InChI

InChI=1S/C24H30FN3O3S/c1-18-6-5-7-20(16-18)26-24(29)19-10-11-22(25)23(17-19)32(30,31)28-14-12-27(13-15-28)21-8-3-2-4-9-21/h5-7,10-11,16-17,21H,2-4,8-9,12-15H2,1H3,(H,26,29)/p+1