2-[4-(4-bromanyl-2-chloranyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-(1,3-thiazol-2-yl)ethanamide

Systemtic Name: 2-[4-(4-bromanyl-2-chloranyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-(1,3-thiazol-2-yl)ethanamide Openeye Name: 2-[4-(4-bromo-2-chloro-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-thiazol-2-yl-acetamide CAS Name: 2-[4-(4-bromo-2-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-(2-thiazolyl)acetamide IUPAC Name: 2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(1,3-thiazol-2-yl)acetamide Traditional Name: 2-[4-(4-bromo-2-chloro-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-thiazol-2-yl-acetamide Formula: C15H17BrClN4O3S2+ MolecularWeight: 480.80748

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=NC=CS2)S(=O)(=O)C3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=NC=CS2)S(=O)(=O)C3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C15H16BrClN4O3S2/c16-11-1-2-13(12(17)9-11)26(23,24)21-6-4-20(5-7-21)10-14(22)19-15-18-3-8-25-15/h1-3,8-9H,4-7,10H2,(H,18,19,22)/p+1