N-(furan-2-ylmethylcarbamoyl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(furan-2-ylmethylcarbamoyl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(2-furylmethylcarbamoyl)acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-[(2-furanylmethylamino)-oxomethyl]acetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide Traditional Name: 2-(4-besylpiperazin-1-ium-1-yl)-N-(2-furfurylcarbamoyl)acetamide Formula: C18H23N4O5S+ MolecularWeight: 407.46402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O5S/c23-17(20-18(24)19-13-15-5-4-12-27-15)14-21-8-10-22(11-9-21)28(25,26)16-6-2-1-3-7-16/h1-7,12H,8-11,13-14H2,(H2,19,20,23,24)/p+1