N-(furan-2-ylmethylcarbamoyl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(furan-2-ylmethylcarbamoyl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(2-furylmethylcarbamoyl)acetamide CAS Name: N-[(2-furanylmethylamino)-oxomethyl]-2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(furan-2-ylmethylcarbamoyl)acetamide Traditional Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(2-furfurylcarbamoyl)acetamide Formula: C19H25N4O5S+ MolecularWeight: 421.4906

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC(=O)NCC2=CC=CO2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC(=O)NCC2=CC=CO2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H24N4O5S/c24-18(21-19(25)20-13-17-7-4-12-28-17)14-22-8-10-23(11-9-22)29(26,27)15-16-5-2-1-3-6-16/h1-7,12H,8-11,13-15H2,(H2,20,21,24,25)/p+1