2-chloranyl-N-[2-(6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]-5-nitro-benzenesulfonamide

Systemtic Name: 2-chloranyl-N-[2-(6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]-5-nitro-benzenesulfonamide Openeye Name: 2-chloro-N-[2-(6-morpholinopyrimidin-4-yl)oxyethyl]-5-nitro-benzenesulfonamide CAS Name: 2-chloro-N-[2-[[6-(4-morpholinyl)-4-pyrimidinyl]oxy]ethyl]-5-nitrobenzenesulfonamide IUPAC Name: 2-chloro-N-[2-(6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]-5-nitrobenzenesulfonamide Traditional Name: 2-chloro-N-[2-(6-morpholinopyrimidin-4-yl)oxyethyl]-5-nitro-benzenesulfonamide Formula: C16H18ClN5O6S MolecularWeight: 443.86202

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC(=NC=N2)OCCNS(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1COCCN1C2=CC(=NC=N2)OCCNS(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H18ClN5O6S/c17-13-2-1-12(22(23)24)9-14(13)29(25,26)20-3-6-28-16-10-15(18-11-19-16)21-4-7-27-8-5-21/h1-2,9-11,20H,3-8H2