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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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