3-nitro-4-[3-(2-oxidanylidenepyrrolidin-1-yl)propylamino]benzenesulfonamide

Systemtic Name: 3-nitro-4-[3-(2-oxidanylidenepyrrolidin-1-yl)propylamino]benzenesulfonamide Openeye Name: 3-nitro-4-[3-(2-oxopyrrolidin-1-yl)propylamino]benzenesulfonamide CAS Name: 3-nitro-4-[3-(2-oxo-1-pyrrolidinyl)propylamino]benzenesulfonamide IUPAC Name: 3-nitro-4-[3-(2-oxopyrrolidin-1-yl)propylamino]benzenesulfonamide Traditional Name: 4-[3-(2-ketopyrrolidino)propylamino]-3-nitro-benzenesulfonamide Formula: C13H18N4O5S MolecularWeight: 342.37082

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CCCNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CC(=O)N(C1)CCCNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C13H18N4O5S/c14-23(21,22)10-4-5-11(12(9-10)17(19)20)15-6-2-8-16-7-1-3-13(16)18/h4-5,9,15H,1-3,6-8H2,(H2,14,21,22)