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

Systemtic Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylsulfanylphenyl)ethanamide Openeye Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylsulfanylphenyl)acetamide CAS Name: 2-[4-(4-tert-butylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-[2-(methylthio)phenyl]acetamide IUPAC Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylsulfanylphenyl)acetamide Traditional Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[2-(methylthio)phenyl]acetamide Formula: C23H32N3O3S2+ MolecularWeight: 462.64848

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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)NC3=CC=CC=C3SC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3SC

InChI

InChI=1S/C23H31N3O3S2/c1-23(2,3)18-9-11-19(12-10-18)31(28,29)26-15-13-25(14-16-26)17-22(27)24-20-7-5-6-8-21(20)30-4/h5-12H,13-17H2,1-4H3,(H,24,27)/p+1