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

Systemtic Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-ethoxyphenyl)ethanamide Openeye Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-ethoxyphenyl)acetamide CAS Name: 2-[4-(4-bromophenyl)sulfonyl-1-piperazin-1-iumyl]-N-(2-ethoxyphenyl)acetamide IUPAC Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-ethoxyphenyl)acetamide Traditional Name: 2-(4-brosylpiperazin-1-ium-1-yl)-N-o-phenetyl-acetamide Formula: C20H25BrN3O4S+ MolecularWeight: 483.3992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H24BrN3O4S/c1-2-28-19-6-4-3-5-18(19)22-20(25)15-23-11-13-24(14-12-23)29(26,27)17-9-7-16(21)8-10-17/h3-10H,2,11-15H2,1H3,(H,22,25)/p+1