2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(5-chloranyl-2-methoxy-phenyl)ethanamide

Systemtic Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(5-chloranyl-2-methoxy-phenyl)ethanamide Openeye Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(5-chloro-2-methoxy-phenyl)acetamide CAS Name: 2-[4-(4-tert-butylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-(5-chloro-2-methoxyphenyl)acetamide IUPAC Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide Traditional Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(5-chloro-2-methoxy-phenyl)acetamide Formula: C23H31ClN3O4S+ MolecularWeight: 481.02794

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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=C(C=CC(=C3)Cl)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H30ClN3O4S/c1-23(2,3)17-5-8-19(9-6-17)32(29,30)27-13-11-26(12-14-27)16-22(28)25-20-15-18(24)7-10-21(20)31-4/h5-10,15H,11-14,16H2,1-4H3,(H,25,28)/p+1