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

Systemtic Name: N-(2,4-dimethylphenyl)-5-nitro-2-[3-(2-oxidanylidenepyrrolidin-1-yl)propylamino]benzenesulfonamide Openeye Name: N-(2,4-dimethylphenyl)-5-nitro-2-[3-(2-oxopyrrolidin-1-yl)propylamino]benzenesulfonamide CAS Name: N-(2,4-dimethylphenyl)-5-nitro-2-[3-(2-oxo-1-pyrrolidinyl)propylamino]benzenesulfonamide IUPAC Name: N-(2,4-dimethylphenyl)-5-nitro-2-[3-(2-oxopyrrolidin-1-yl)propylamino]benzenesulfonamide Traditional Name: N-(2,4-dimethylphenyl)-2-[3-(2-ketopyrrolidino)propylamino]-5-nitro-benzenesulfonamide Formula: C21H26N4O5S MolecularWeight: 446.51994

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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-])NCCCN3CCCC3=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCCN3CCCC3=O)C

InChI

InChI=1S/C21H26N4O5S/c1-15-6-8-18(16(2)13-15)23-31(29,30)20-14-17(25(27)28)7-9-19(20)22-10-4-12-24-11-3-5-21(24)26/h6-9,13-14,22-23H,3-5,10-12H2,1-2H3