2-[4-(5-tert-butyl-2-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)ethanamide

Systemtic Name: 2-[4-(5-tert-butyl-2-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)ethanamide Openeye Name: 2-[4-(5-tert-butyl-2-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-(5-methylisoxazol-3-yl)acetamide CAS Name: 2-[4-(5-tert-butyl-2-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-(5-methyl-3-isoxazolyl)acetamide IUPAC Name: 2-[4-(5-tert-butyl-2-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide Traditional Name: 2-[4-(5-tert-butyl-2-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-(5-methylisoxazol-3-yl)acetamide Formula: C21H31N4O4S+ MolecularWeight: 435.56024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=NOC(=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=NOC(=C3)C

InChI

InChI=1S/C21H30N4O4S/c1-15-6-7-17(21(3,4)5)13-18(15)30(27,28)25-10-8-24(9-11-25)14-20(26)22-19-12-16(2)29-23-19/h6-7,12-13H,8-11,14H2,1-5H3,(H,22,23,26)/p+1