4-[4-[2-[2-(1,3-benzothiazol-3-ium-3-yl)ethanoylamino]ethylsulfanyl]phenyl]sulfonyl-N-oxidanyl-oxane-4-carboxamide

Systemtic Name: 4-[4-[2-[2-(1,3-benzothiazol-3-ium-3-yl)ethanoylamino]ethylsulfanyl]phenyl]sulfonyl-N-oxidanyl-oxane-4-carboxamide Openeye Name: 2-(1,3-benzothiazol-3-ium-3-yl)-N-[2-[4-[4-(hydroxycarbamoyl)tetrahydropyran-4-yl]sulfonylphenyl]sulfanylethyl]acetamide CAS Name: 4-[4-[2-[[2-(1,3-benzothiazol-3-ium-3-yl)-1-oxoethyl]amino]ethylthio]phenyl]sulfonyl-N-hydroxy-4-oxanecarboxamide IUPAC Name: 4-[4-[2-[[2-(1,3-benzothiazol-3-ium-3-yl)acetyl]amino]ethylsulfanyl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide Traditional Name: 2-(1,3-benzothiazol-3-ium-3-yl)-N-[2-[[4-[4-(hydroxycarbamoyl)tetrahydropyran-4-yl]sulfonylphenyl]thio]ethyl]acetamide Formula: C23H26N3O6S3+ MolecularWeight: 536.66404

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1(C(=O)NO)S(=O)(=O)C2=CC=C(C=C2)SCCNC(=O)C[N+]3=CSC4=CC=CC=C43

Isomeric SMILES

C1COCCC1(C(=O)NO)S(=O)(=O)C2=CC=C(C=C2)SCCNC(=O)C[N+]3=CSC4=CC=CC=C43

InChI

InChI=1S/C23H25N3O6S3/c27-21(15-26-16-34-20-4-2-1-3-19(20)26)24-11-14-33-17-5-7-18(8-6-17)35(30,31)23(22(28)25-29)9-12-32-13-10-23/h1-8,16H,9-15H2,(H2-,24,25,27,28,29)/p+1