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

Systemtic Name: 2,3-dimethyl-N-[(2-morpholin-4-ylpyridin-3-yl)methyl]-5-nitro-benzenesulfonamide Openeye Name: 2,3-dimethyl-N-[(2-morpholino-3-pyridyl)methyl]-5-nitro-benzenesulfonamide CAS Name: 2,3-dimethyl-N-[[2-(4-morpholinyl)-3-pyridinyl]methyl]-5-nitrobenzenesulfonamide IUPAC Name: 2,3-dimethyl-N-[(2-morpholin-4-ylpyridin-3-yl)methyl]-5-nitrobenzenesulfonamide Traditional Name: 2,3-dimethyl-N-[(2-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=C(N=CC=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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