2-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-N-(3-ethanoylphenyl)ethanamide

Systemtic Name: 2-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-N-(3-ethanoylphenyl)ethanamide Openeye Name: N-(3-acetylphenyl)-2-[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-acetylphenyl)-2-[4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-acetylphenyl)-2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-acetylphenyl)-2-[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]acetamide Formula: C18H21BrN3O4S2+ MolecularWeight: 487.41104

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C18H20BrN3O4S2/c1-13(23)14-3-2-4-15(11-14)20-17(24)12-21-7-9-22(10-8-21)28(25,26)18-6-5-16(19)27-18/h2-6,11H,7-10,12H2,1H3,(H,20,24)/p+1