N-(3-chloranyl-4-methyl-phenyl)-5-(4-cyclohexylpiperazin-4-ium-1-yl)sulfonyl-2-fluoranyl-benzamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-5-(4-cyclohexylpiperazin-4-ium-1-yl)sulfonyl-2-fluoranyl-benzamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-5-(4-cyclohexylpiperazin-4-ium-1-yl)sulfonyl-2-fluoro-benzamide CAS Name: N-(3-chloro-4-methylphenyl)-5-[(4-cyclohexyl-1-piperazin-4-iumyl)sulfonyl]-2-fluorobenzamide IUPAC Name: N-(3-chloro-4-methylphenyl)-5-(4-cyclohexylpiperazin-4-ium-1-yl)sulfonyl-2-fluorobenzamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-5-(4-cyclohexylpiperazin-4-ium-1-yl)sulfonyl-2-fluoro-benzamide Formula: C24H30ClFN3O3S+ MolecularWeight: 495.029703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29ClFN3O3S/c1-17-7-8-18(15-22(17)25)27-24(30)21-16-20(9-10-23(21)26)33(31,32)29-13-11-28(12-14-29)19-5-3-2-4-6-19/h7-10,15-16,19H,2-6,11-14H2,1H3,(H,27,30)/p+1