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

Systemtic Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-nitro-benzenesulfonamide Openeye Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-nitro-benzenesulfonamide CAS Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-nitrobenzenesulfonamide Traditional Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-nitro-benzenesulfonamide Formula: C19H13N3O4S2 MolecularWeight: 411.45422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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