N-(2,4-dimethylphenyl)-2-(3-morpholin-4-ylpropylamino)-5-nitro-benzenesulfonamide

Systemtic Name: N-(2,4-dimethylphenyl)-2-(3-morpholin-4-ylpropylamino)-5-nitro-benzenesulfonamide Openeye Name: N-(2,4-dimethylphenyl)-2-(3-morpholinopropylamino)-5-nitro-benzenesulfonamide CAS Name: N-(2,4-dimethylphenyl)-2-[3-(4-morpholinyl)propylamino]-5-nitrobenzenesulfonamide IUPAC Name: N-(2,4-dimethylphenyl)-2-(3-morpholin-4-ylpropylamino)-5-nitrobenzenesulfonamide Traditional Name: N-(2,4-dimethylphenyl)-2-(3-morpholinopropylamino)-5-nitro-benzenesulfonamide Formula: C21H28N4O5S MolecularWeight: 448.53582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCCN3CCOCC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCCN3CCOCC3)C

InChI

InChI=1S/C21H28N4O5S/c1-16-4-6-19(17(2)14-16)23-31(28,29)21-15-18(25(26)27)5-7-20(21)22-8-3-9-24-10-12-30-13-11-24/h4-7,14-15,22-23H,3,8-13H2,1-2H3