N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-nitro-benzenesulfonamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-nitro-benzenesulfonamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-nitrobenzenesulfonamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-nitro-benzenesulfonamide Formula: C19H13N3O4S2 MolecularWeight: 411.45422

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)NS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)NS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C19H13N3O4S2/c23-22(24)16-10-4-6-12-18(16)28(25,26)21-14-8-2-1-7-13(14)19-20-15-9-3-5-11-17(15)27-19/h1-12,21H