4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-3-nitro-N-phenyl-benzenesulfonamide

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-3-nitro-N-phenyl-benzenesulfonamide Openeye Name: 4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-3-nitro-N-phenyl-benzenesulfonamide CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-3-nitro-N-phenylbenzenesulfonamide IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-3-nitro-N-phenylbenzenesulfonamide Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-3-nitro-N-phenyl-benzenesulfonamide Formula: C21H19N3O6S MolecularWeight: 441.45706

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)CNC3=C(C=C(C=C3)S(=O)(=O)NC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)CNC3=C(C=C(C=C3)S(=O)(=O)NC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O6S/c25-24(26)19-12-17(31(27,28)23-15-6-2-1-3-7-15)10-11-18(19)22-13-16-14-29-20-8-4-5-9-21(20)30-16/h1-12,16,22-23H,13-14H2