N-(8-nitro-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-4-phenyl-benzenesulfonamide

Systemtic Name: N-(8-nitro-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-4-phenyl-benzenesulfonamide Openeye Name: N-(8-nitro-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-4-phenyl-benzenesulfonamide CAS Name: N-(8-nitro-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-4-phenylbenzenesulfonamide IUPAC Name: N-(8-nitro-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-4-phenylbenzenesulfonamide Traditional Name: N-(8-nitro-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-4-phenyl-benzenesulfonamide Formula: C23H17N3O4S2 MolecularWeight: 463.52878

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=C1C=CC(=C3)[N+](=O)[O-])N=C(S2)NS(=O)(=O)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

C1CC2=C(C3=C1C=CC(=C3)[N+](=O)[O-])N=C(S2)NS(=O)(=O)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C23H17N3O4S2/c27-26(28)18-10-6-17-9-13-21-22(20(17)14-18)24-23(31-21)25-32(29,30)19-11-7-16(8-12-19)15-4-2-1-3-5-15/h1-8,10-12,14H,9,13H2,(H,24,25)