4-[[5-nitro-4-[3-(2-oxidanylidenepyrrolidin-1-yl)propylamino]pyrimidin-2-yl]amino]benzenesulfonamide

Systemtic Name: 4-[[5-nitro-4-[3-(2-oxidanylidenepyrrolidin-1-yl)propylamino]pyrimidin-2-yl]amino]benzenesulfonamide Openeye Name: 4-[[5-nitro-4-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-2-yl]amino]benzenesulfonamide CAS Name: 4-[[5-nitro-4-[3-(2-oxo-1-pyrrolidinyl)propylamino]-2-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: 4-[[5-nitro-4-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-2-yl]amino]benzenesulfonamide Traditional Name: 4-[[4-[3-(2-ketopyrrolidino)propylamino]-5-nitro-pyrimidin-2-yl]amino]benzenesulfonamide Formula: C17H21N7O5S MolecularWeight: 435.45754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CCCNC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1CC(=O)N(C1)CCCNC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C17H21N7O5S/c18-30(28,29)13-6-4-12(5-7-13)21-17-20-11-14(24(26)27)16(22-17)19-8-2-10-23-9-1-3-15(23)25/h4-7,11H,1-3,8-10H2,(H2,18,28,29)(H2,19,20,21,22)