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

Systemtic Name: 5-bromanyl-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]furan-2-carboxamide CAS Name: 5-bromo-N-[2-[4-(4-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]ethyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-2-furamide Formula: C18H23BrN3O5S+ MolecularWeight: 473.36132

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCNC(=O)C3=CC=C(O3)Br

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCNC(=O)C3=CC=C(O3)Br

InChI

InChI=1S/C18H22BrN3O5S/c1-26-14-2-4-15(5-3-14)28(24,25)22-12-10-21(11-13-22)9-8-20-18(23)16-6-7-17(19)27-16/h2-7H,8-13H2,1H3,(H,20,23)/p+1