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

Systemtic Name: 2-[2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]-N-methyl-ethanamide Openeye Name: 2-[[2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-N-methyl-acetamide CAS Name: 2-[[2-[4-(4-tert-butylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxoethyl]amino]-N-methylacetamide IUPAC Name: 2-[[2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-N-methylacetamide Traditional Name: 2-[[2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-N-methyl-acetamide Formula: C19H31N4O4S+ MolecularWeight: 411.53884

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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)NCC(=O)NC

Isomeric SMILES

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

InChI

InChI=1S/C19H30N4O4S/c1-19(2,3)15-5-7-16(8-6-15)28(26,27)23-11-9-22(10-12-23)14-18(25)21-13-17(24)20-4/h5-8H,9-14H2,1-4H3,(H,20,24)(H,21,25)/p+1