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

Systemtic Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-methoxyphenyl)ethanamide Openeye Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-methoxyphenyl)acetamide CAS Name: 2-[4-(4-bromophenyl)sulfonyl-1-piperazin-1-iumyl]-N-(3-methoxyphenyl)acetamide IUPAC Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-methoxyphenyl)acetamide Traditional Name: 2-(4-brosylpiperazin-1-ium-1-yl)-N-(3-methoxyphenyl)acetamide Formula: C19H23BrN3O4S+ MolecularWeight: 469.37262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

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