4-chloranyl-N-[6-(2-hydroxyethyloxy)-5-(3-nitrophenyl)pyrimidin-4-yl]benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[6-(2-hydroxyethyloxy)-5-(3-nitrophenyl)pyrimidin-4-yl]benzenesulfonamide Openeye Name: 4-chloro-N-[6-(2-hydroxyethoxy)-5-(3-nitrophenyl)pyrimidin-4-yl]benzenesulfonamide CAS Name: 4-chloro-N-[6-(2-hydroxyethoxy)-5-(3-nitrophenyl)-4-pyrimidinyl]benzenesulfonamide IUPAC Name: 4-chloro-N-[6-(2-hydroxyethoxy)-5-(3-nitrophenyl)pyrimidin-4-yl]benzenesulfonamide Traditional Name: 4-chloro-N-[6-(2-hydroxyethoxy)-5-(3-nitrophenyl)pyrimidin-4-yl]benzenesulfonamide Formula: C18H15ClN4O6S MolecularWeight: 450.8529

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=C(N=CN=C2OCCO)NS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=C(N=CN=C2OCCO)NS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

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