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

Systemtic Name: N-(tert-butylcarbamoyl)-2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(tert-butylcarbamoyl)-2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-[(tert-butylamino)-oxomethyl]-2-[4-(4-tert-butylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(tert-butylcarbamoyl)-2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(tert-butylcarbamoyl)-2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C21H35N4O4S+ MolecularWeight: 439.592

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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)NC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H34N4O4S/c1-20(2,3)16-7-9-17(10-8-16)30(28,29)25-13-11-24(12-14-25)15-18(26)22-19(27)23-21(4,5)6/h7-10H,11-15H2,1-6H3,(H2,22,23,26,27)/p+1