N-(furan-2-ylmethyl)-2-[5-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonylpyridin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(furan-2-ylmethyl)-2-[5-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonylpyridin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[[5-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]sulfanyl]-N-(2-furylmethyl)acetamide CAS Name: N-(2-furanylmethyl)-2-[[5-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]-2-pyridinyl]thio]acetamide IUPAC Name: 2-[5-(4-benzylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide Traditional Name: 2-[[5-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]thio]-N-(2-furfuryl)acetamide Formula: C23H27N4O4S2+ MolecularWeight: 487.61488

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)C3=CN=C(C=C3)SCC(=O)NCC4=CC=CO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)C3=CN=C(C=C3)SCC(=O)NCC4=CC=CO4

InChI

InChI=1S/C23H26N4O4S2/c28-22(24-15-20-7-4-14-31-20)18-32-23-9-8-21(16-25-23)33(29,30)27-12-10-26(11-13-27)17-19-5-2-1-3-6-19/h1-9,14,16H,10-13,15,17-18H2,(H,24,28)/p+1