N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-oxidanyl-phenyl]-2-chloranyl-5-nitro-benzenesulfonamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-oxidanyl-phenyl]-2-chloranyl-5-nitro-benzenesulfonamide Openeye Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxy-phenyl]-2-chloro-5-nitro-benzenesulfonamide CAS Name: N-[3-(1,3-benzothiazol-2-ylthio)-4-hydroxyphenyl]-2-chloro-5-nitrobenzenesulfonamide IUPAC Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxyphenyl]-2-chloro-5-nitrobenzenesulfonamide Traditional Name: N-[3-(1,3-benzothiazol-2-ylthio)-4-hydroxy-phenyl]-2-chloro-5-nitro-benzenesulfonamide Formula: C19H12ClN3O5S3 MolecularWeight: 493.96368

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

Isomeric SMILES

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

InChI

InChI=1S/C19H12ClN3O5S3/c20-13-7-6-12(23(25)26)10-18(13)31(27,28)22-11-5-8-15(24)17(9-11)30-19-21-14-3-1-2-4-16(14)29-19/h1-10,22,24H