4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-N-(2-dimethylaminoethyl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-N-(2-dimethylaminoethyl)-3-nitro-benzenesulfonamide Openeye Name: 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-N-(2-dimethylaminoethyl)-3-nitro-benzenesulfonamide CAS Name: 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]-N-(2-dimethylaminoethyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-N-(2-dimethylaminoethyl)-3-nitrobenzenesulfonamide Traditional Name: 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidino]-N-(2-dimethylaminoethyl)-3-nitro-benzenesulfonamide Formula: C22H28N4O6S MolecularWeight: 476.54592

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)N2CCCC2C3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)N2CCCC2C3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O6S/c1-24(2)11-9-23-33(29,30)17-6-7-19(20(15-17)26(27)28)25-10-3-4-18(25)16-5-8-21-22(14-16)32-13-12-31-21/h5-8,14-15,18,23H,3-4,9-13H2,1-2H3