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

Systemtic Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-cyanopropan-2-yl)-N-methyl-ethanamide Openeye Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(1-cyano-1-methyl-ethyl)-N-methyl-acetamide CAS Name: 2-[4-(4-tert-butylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-(2-cyanopropan-2-yl)-N-methylacetamide IUPAC Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-cyanopropan-2-yl)-N-methylacetamide Traditional Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(1-cyano-1-methyl-ethyl)-N-methyl-acetamide Formula: C21H33N4O3S+ MolecularWeight: 421.57672

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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)N(C)C(C)(C)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4O3S/c1-20(2,3)17-7-9-18(10-8-17)29(27,28)25-13-11-24(12-14-25)15-19(26)23(6)21(4,5)16-22/h7-10H,11-15H2,1-6H3/p+1