4-(1,3-benzodioxol-5-ylmethylamino)-N-ethyl-3-nitro-N-phenyl-benzenesulfonamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethylamino)-N-ethyl-3-nitro-N-phenyl-benzenesulfonamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethylamino)-N-ethyl-3-nitro-N-phenyl-benzenesulfonamide CAS Name: 4-(1,3-benzodioxol-5-ylmethylamino)-N-ethyl-3-nitro-N-phenylbenzenesulfonamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethylamino)-N-ethyl-3-nitro-N-phenylbenzenesulfonamide Traditional Name: N-ethyl-3-nitro-N-phenyl-4-(piperonylamino)benzenesulfonamide Formula: C22H21N3O6S MolecularWeight: 455.48364

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O6S/c1-2-24(17-6-4-3-5-7-17)32(28,29)18-9-10-19(20(13-18)25(26)27)23-14-16-8-11-21-22(12-16)31-15-30-21/h3-13,23H,2,14-15H2,1H3