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

Systemtic Name: N-(furan-2-ylmethylcarbamoyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-furylmethylcarbamoyl)-2-[4-(4-isopropylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-[(2-furanylmethylamino)-oxomethyl]-2-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(furan-2-ylmethylcarbamoyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-furfurylcarbamoyl)-2-(4-p-cumenylsulfonylpiperazin-1-ium-1-yl)acetamide Formula: C21H29N4O5S+ MolecularWeight: 449.54376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC(=O)NCC3=CC=CO3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC(=O)NCC3=CC=CO3

InChI

InChI=1S/C21H28N4O5S/c1-16(2)17-5-7-19(8-6-17)31(28,29)25-11-9-24(10-12-25)15-20(26)23-21(27)22-14-18-4-3-13-30-18/h3-8,13,16H,9-12,14-15H2,1-2H3,(H2,22,23,26,27)/p+1