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

Systemtic Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(furan-2-ylmethylcarbamoyl)ethanamide Openeye Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-furylmethylcarbamoyl)acetamide CAS Name: 2-[4-(4-tert-butylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(2-furanylmethylamino)-oxomethyl]acetamide IUPAC Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide Traditional Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-furfurylcarbamoyl)acetamide Formula: C22H31N4O5S+ MolecularWeight: 463.57034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O5S/c1-22(2,3)17-6-8-19(9-7-17)32(29,30)26-12-10-25(11-13-26)16-20(27)24-21(28)23-15-18-5-4-14-31-18/h4-9,14H,10-13,15-16H2,1-3H3,(H2,23,24,27,28)/p+1