N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-oxidanyl-phenyl]quinoline-8-sulfonamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-oxidanyl-phenyl]quinoline-8-sulfonamide Openeye Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxy-phenyl]quinoline-8-sulfonamide CAS Name: N-[3-(1,3-benzothiazol-2-ylthio)-4-hydroxyphenyl]-8-quinolinesulfonamide IUPAC Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxyphenyl]quinoline-8-sulfonamide Traditional Name: N-[3-(1,3-benzothiazol-2-ylthio)-4-hydroxy-phenyl]quinoline-8-sulfonamide Formula: C22H15N3O3S3 MolecularWeight: 465.5678

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC3=C(C=CC(=C3)NS(=O)(=O)C4=CC=CC5=C4N=CC=C5)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC3=C(C=CC(=C3)NS(=O)(=O)C4=CC=CC5=C4N=CC=C5)O

InChI

InChI=1S/C22H15N3O3S3/c26-17-11-10-15(13-19(17)30-22-24-16-7-1-2-8-18(16)29-22)25-31(27,28)20-9-3-5-14-6-4-12-23-21(14)20/h1-13,25-26H