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

Systemtic Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-N-(2,3-dimethylphenyl)-2-fluoranyl-benzamide Openeye Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-N-(2,3-dimethylphenyl)-2-fluoro-benzamide CAS Name: 5-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]sulfonyl]-N-(2,3-dimethylphenyl)-2-fluorobenzamide IUPAC Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-N-(2,3-dimethylphenyl)-2-fluorobenzamide Traditional Name: N-(2,3-dimethylphenyl)-2-fluoro-5-(4-piperonylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C27H29FN3O5S+ MolecularWeight: 526.599663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5)F)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5)F)C

InChI

InChI=1S/C27H28FN3O5S/c1-18-4-3-5-24(19(18)2)29-27(32)22-15-21(7-8-23(22)28)37(33,34)31-12-10-30(11-13-31)16-20-6-9-25-26(14-20)36-17-35-25/h3-9,14-15H,10-13,16-17H2,1-2H3,(H,29,32)/p+1