2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-chlorophenyl)ethanamide

Systemtic Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-chlorophenyl)ethanamide Openeye Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-chlorophenyl)acetamide CAS Name: 2-[4-(4-tert-butylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-(3-chlorophenyl)acetamide IUPAC Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-chlorophenyl)acetamide Traditional Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-chlorophenyl)acetamide Formula: C22H29ClN3O3S+ MolecularWeight: 451.00196

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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=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H28ClN3O3S/c1-22(2,3)17-7-9-20(10-8-17)30(28,29)26-13-11-25(12-14-26)16-21(27)24-19-6-4-5-18(23)15-19/h4-10,15H,11-14,16H2,1-3H3,(H,24,27)/p+1