2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methoxyphenyl)ethanamide

Systemtic Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methoxyphenyl)ethanamide Openeye Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methoxyphenyl)acetamide CAS Name: 2-[4-(4-bromophenyl)sulfonyl-1-piperazin-1-iumyl]-N-(2-methoxyphenyl)acetamide IUPAC Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methoxyphenyl)acetamide Traditional Name: 2-(4-brosylpiperazin-1-ium-1-yl)-N-(2-methoxyphenyl)acetamide Formula: C19H23BrN3O4S+ MolecularWeight: 469.37262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

COC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C19H22BrN3O4S/c1-27-18-5-3-2-4-17(18)21-19(24)14-22-10-12-23(13-11-22)28(25,26)16-8-6-15(20)7-9-16/h2-9H,10-14H2,1H3,(H,21,24)/p+1