N-(4-bromanyl-2-chloranyl-phenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(4-bromanyl-2-chloranyl-phenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(4-bromo-2-chloro-phenyl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-bromo-2-chlorophenyl)-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(4-bromo-2-chlorophenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(4-bromo-2-chloro-phenyl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C16H18BrClN3O3S2+ MolecularWeight: 479.81942

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=C(C=C(C=C2)Br)Cl)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=C(C=C(C=C2)Br)Cl)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C16H17BrClN3O3S2/c17-12-3-4-14(13(18)10-12)19-15(22)11-20-5-7-21(8-6-20)26(23,24)16-2-1-9-25-16/h1-4,9-10H,5-8,11H2,(H,19,22)/p+1