4-(1,3-benzoxazol-2-ylsulfanyl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-(1,3-benzoxazol-2-ylsulfanyl)-3-nitro-benzenesulfonamide Openeye Name: 4-(1,3-benzoxazol-2-ylsulfanyl)-3-nitro-benzenesulfonamide CAS Name: 4-(1,3-benzoxazol-2-ylthio)-3-nitrobenzenesulfonamide IUPAC Name: 4-(1,3-benzoxazol-2-ylsulfanyl)-3-nitrobenzenesulfonamide Traditional Name: 4-(1,3-benzoxazol-2-ylthio)-3-nitro-benzenesulfonamide Formula: C13H9N3O5S2 MolecularWeight: 351.35766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)SC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)SC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C13H9N3O5S2/c14-23(19,20)8-5-6-12(10(7-8)16(17)18)22-13-15-9-3-1-2-4-11(9)21-13/h1-7H,(H2,14,19,20)