4-[1-(1,3-benzodioxol-5-yl)ethylamino]-N-(2,4-dimethylphenyl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-[1-(1,3-benzodioxol-5-yl)ethylamino]-N-(2,4-dimethylphenyl)-3-nitro-benzenesulfonamide Openeye Name: 4-[1-(1,3-benzodioxol-5-yl)ethylamino]-N-(2,4-dimethylphenyl)-3-nitro-benzenesulfonamide CAS Name: 4-[1-(1,3-benzodioxol-5-yl)ethylamino]-N-(2,4-dimethylphenyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-[1-(1,3-benzodioxol-5-yl)ethylamino]-N-(2,4-dimethylphenyl)-3-nitrobenzenesulfonamide Traditional Name: 4-[1-(1,3-benzodioxol-5-yl)ethylamino]-N-(2,4-dimethylphenyl)-3-nitro-benzenesulfonamide Formula: C23H23N3O6S MolecularWeight: 469.51022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)NC(C)C3=CC4=C(C=C3)OCO4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)NC(C)C3=CC4=C(C=C3)OCO4)[N+](=O)[O-])C

InChI

InChI=1S/C23H23N3O6S/c1-14-4-7-19(15(2)10-14)25-33(29,30)18-6-8-20(21(12-18)26(27)28)24-16(3)17-5-9-22-23(11-17)32-13-31-22/h4-12,16,24-25H,13H2,1-3H3