2,3-dimethyl-N-[(6-morpholin-4-ylpyridin-3-yl)methyl]-5-nitro-benzenesulfonamide

Systemtic Name: 2,3-dimethyl-N-[(6-morpholin-4-ylpyridin-3-yl)methyl]-5-nitro-benzenesulfonamide Openeye Name: 2,3-dimethyl-N-[(6-morpholino-3-pyridyl)methyl]-5-nitro-benzenesulfonamide CAS Name: 2,3-dimethyl-N-[[6-(4-morpholinyl)-3-pyridinyl]methyl]-5-nitrobenzenesulfonamide IUPAC Name: 2,3-dimethyl-N-[(6-morpholin-4-ylpyridin-3-yl)methyl]-5-nitrobenzenesulfonamide Traditional Name: 2,3-dimethyl-N-[(6-morpholino-3-pyridyl)methyl]-5-nitro-benzenesulfonamide Formula: C18H22N4O5S MolecularWeight: 406.45608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)NCC2=CN=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)NCC2=CN=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O5S/c1-13-9-16(22(23)24)10-17(14(13)2)28(25,26)20-12-15-3-4-18(19-11-15)21-5-7-27-8-6-21/h3-4,9-11,20H,5-8,12H2,1-2H3