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

Systemtic Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-2-fluoranyl-N-(4-propan-2-ylphenyl)benzamide Openeye Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-2-fluoro-N-(4-isopropylphenyl)benzamide CAS Name: 5-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]sulfonyl]-2-fluoro-N-(4-propan-2-ylphenyl)benzamide IUPAC Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-2-fluoro-N-(4-propan-2-ylphenyl)benzamide Traditional Name: 2-fluoro-N-p-cumenyl-5-(4-piperonylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C28H31FN3O5S+ MolecularWeight: 540.626243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30FN3O5S/c1-19(2)21-4-6-22(7-5-21)30-28(33)24-16-23(8-9-25(24)29)38(34,35)32-13-11-31(12-14-32)17-20-3-10-26-27(15-20)37-18-36-26/h3-10,15-16,19H,11-14,17-18H2,1-2H3,(H,30,33)/p+1