N-[2-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]ethyl]furan-2-carboxamide

Systemtic Name: N-[2-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]ethyl]furan-2-carboxamide Openeye Name: N-[2-[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]ethyl]furan-2-carboxamide CAS Name: N-[2-[4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazin-1-iumyl]ethyl]-2-furancarboxamide IUPAC Name: N-[2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]ethyl]furan-2-carboxamide Traditional Name: N-[2-[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]ethyl]-2-furamide Formula: C15H19BrN3O4S2+ MolecularWeight: 449.36306

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCNC(=O)C2=CC=CO2)S(=O)(=O)C3=CC=C(S3)Br

Isomeric SMILES

C1CN(CC[NH+]1CCNC(=O)C2=CC=CO2)S(=O)(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C15H18BrN3O4S2/c16-13-3-4-14(24-13)25(21,22)19-9-7-18(8-10-19)6-5-17-15(20)12-2-1-11-23-12/h1-4,11H,5-10H2,(H,17,20)/p+1