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

Systemtic Name: 2-methyl-N-[2-(6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]-5-nitro-benzenesulfonamide Openeye Name: 2-methyl-N-[2-(6-morpholinopyrimidin-4-yl)oxyethyl]-5-nitro-benzenesulfonamide CAS Name: 2-methyl-N-[2-[[6-(4-morpholinyl)-4-pyrimidinyl]oxy]ethyl]-5-nitrobenzenesulfonamide IUPAC Name: 2-methyl-N-[2-(6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]-5-nitrobenzenesulfonamide Traditional Name: 2-methyl-N-[2-(6-morpholinopyrimidin-4-yl)oxyethyl]-5-nitro-benzenesulfonamide Formula: C17H21N5O6S MolecularWeight: 423.44354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCCOC2=NC=NC(=C2)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCCOC2=NC=NC(=C2)N3CCOCC3

InChI

InChI=1S/C17H21N5O6S/c1-13-2-3-14(22(23)24)10-15(13)29(25,26)20-4-7-28-17-11-16(18-12-19-17)21-5-8-27-9-6-21/h2-3,10-12,20H,4-9H2,1H3