2-(1,3-benzodioxol-5-ylmethylamino)-N-(4-chlorophenyl)-5-nitro-benzenesulfonamide

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-(4-chlorophenyl)-5-nitro-benzenesulfonamide Openeye Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-(4-chlorophenyl)-5-nitro-benzenesulfonamide CAS Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-(4-chlorophenyl)-5-nitrobenzenesulfonamide IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-(4-chlorophenyl)-5-nitrobenzenesulfonamide Traditional Name: N-(4-chlorophenyl)-5-nitro-2-(piperonylamino)benzenesulfonamide Formula: C20H16ClN3O6S MolecularWeight: 461.87554

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)NC4=CC=C(C=C4)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H16ClN3O6S/c21-14-2-4-15(5-3-14)23-31(27,28)20-10-16(24(25)26)6-7-17(20)22-11-13-1-8-18-19(9-13)30-12-29-18/h1-10,22-23H,11-12H2