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

Systemtic Name: N-(3-bromophenyl)-2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-bromophenyl)-2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(3-bromophenyl)-2-[4-(4-tert-butylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-bromophenyl)-2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-bromophenyl)-2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C22H29BrN3O3S+ MolecularWeight: 495.45296

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C22H28BrN3O3S/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