4-chloranyl-N-[6-(2-hydroxyethyloxy)-5-(4-nitrophenyl)pyrimidin-4-yl]benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[6-(2-hydroxyethyloxy)-5-(4-nitrophenyl)pyrimidin-4-yl]benzenesulfonamide Openeye Name: 4-chloro-N-[6-(2-hydroxyethoxy)-5-(4-nitrophenyl)pyrimidin-4-yl]benzenesulfonamide CAS Name: 4-chloro-N-[6-(2-hydroxyethoxy)-5-(4-nitrophenyl)-4-pyrimidinyl]benzenesulfonamide IUPAC Name: 4-chloro-N-[6-(2-hydroxyethoxy)-5-(4-nitrophenyl)pyrimidin-4-yl]benzenesulfonamide Traditional Name: 4-chloro-N-[6-(2-hydroxyethoxy)-5-(4-nitrophenyl)pyrimidin-4-yl]benzenesulfonamide Formula: C18H15ClN4O6S MolecularWeight: 450.8529

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(N=CN=C2OCCO)NS(=O)(=O)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=C(N=CN=C2OCCO)NS(=O)(=O)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H15ClN4O6S/c19-13-3-7-15(8-4-13)30(27,28)22-17-16(18(21-11-20-17)29-10-9-24)12-1-5-14(6-2-12)23(25)26/h1-8,11,24H,9-10H2,(H,20,21,22)