2-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-(methylcarbamoyl)ethanamide

Systemtic Name: 2-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-(methylcarbamoyl)ethanamide Openeye Name: 2-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-(methylcarbamoyl)acetamide CAS Name: 2-[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-(methylcarbamoyl)acetamide IUPAC Name: 2-[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(methylcarbamoyl)acetamide Traditional Name: 2-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-(methylcarbamoyl)acetamide Formula: C20H33N4O4S+ MolecularWeight: 425.56542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC(=O)NC)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC(=O)NC)C)C(C)(C)C

InChI

InChI=1S/C20H32N4O4S/c1-14-11-16(20(3,4)5)12-15(2)18(14)29(27,28)24-9-7-23(8-10-24)13-17(25)22-19(26)21-6/h11-12H,7-10,13H2,1-6H3,(H2,21,22,25,26)/p+1