2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2,4,6-trimethylphenyl)ethanamide

Systemtic Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2,4,6-trimethylphenyl)ethanamide Openeye Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2,4,6-trimethylphenyl)acetamide CAS Name: 2-[4-(4-tert-butylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-(2,4,6-trimethylphenyl)acetamide IUPAC Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2,4,6-trimethylphenyl)acetamide Traditional Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-mesityl-acetamide Formula: C25H36N3O3S+ MolecularWeight: 458.63664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)C

InChI

InChI=1S/C25H35N3O3S/c1-18-15-19(2)24(20(3)16-18)26-23(29)17-27-11-13-28(14-12-27)32(30,31)22-9-7-21(8-10-22)25(4,5)6/h7-10,15-16H,11-14,17H2,1-6H3,(H,26,29)/p+1