5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-N-(3-chloranyl-2-methyl-phenyl)-2-fluoranyl-benzamide

Systemtic Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-N-(3-chloranyl-2-methyl-phenyl)-2-fluoranyl-benzamide Openeye Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-N-(3-chloro-2-methyl-phenyl)-2-fluoro-benzamide CAS Name: 5-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]sulfonyl]-N-(3-chloro-2-methylphenyl)-2-fluorobenzamide IUPAC Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-N-(3-chloro-2-methylphenyl)-2-fluorobenzamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-2-fluoro-5-(4-piperonylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C26H26ClFN3O5S+ MolecularWeight: 547.018143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5)F

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5)F

InChI

InChI=1S/C26H25ClFN3O5S/c1-17-21(27)3-2-4-23(17)29-26(32)20-14-19(6-7-22(20)28)37(33,34)31-11-9-30(10-12-31)15-18-5-8-24-25(13-18)36-16-35-24/h2-8,13-14H,9-12,15-16H2,1H3,(H,29,32)/p+1