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

Systemtic Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2-chlorophenyl)methyl]ethanamide Openeye Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2-chlorophenyl)methyl]acetamide CAS Name: 2-[4-(4-tert-butylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(2-chlorophenyl)methyl]acetamide IUPAC Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2-chlorophenyl)methyl]acetamide Traditional Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-chlorobenzyl)acetamide Formula: C23H31ClN3O3S+ MolecularWeight: 465.02854

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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)NCC3=CC=CC=C3Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NCC3=CC=CC=C3Cl

InChI

InChI=1S/C23H30ClN3O3S/c1-23(2,3)19-8-10-20(11-9-19)31(29,30)27-14-12-26(13-15-27)17-22(28)25-16-18-6-4-5-7-21(18)24/h4-11H,12-17H2,1-3H3,(H,25,28)/p+1