N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-oxidanyl-phenyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-oxidanyl-phenyl]-3-nitro-benzenesulfonamide Openeye Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxy-phenyl]-3-nitro-benzenesulfonamide CAS Name: N-[3-(1,3-benzothiazol-2-ylthio)-4-hydroxyphenyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxyphenyl]-3-nitrobenzenesulfonamide Traditional Name: N-[3-(1,3-benzothiazol-2-ylthio)-4-hydroxy-phenyl]-3-nitro-benzenesulfonamide Formula: C19H13N3O5S3 MolecularWeight: 459.51862

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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=CC(=C4)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC3=C(C=CC(=C3)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])O

InChI

InChI=1S/C19H13N3O5S3/c23-16-9-8-12(21-30(26,27)14-5-3-4-13(11-14)22(24)25)10-18(16)29-19-20-15-6-1-2-7-17(15)28-19/h1-11,21,23H