(3,5-dimethyl-4-morpholin-4-ylsulfonyl-pyrazol-1-yl)-(2-methyl-3-nitro-phenyl)methanone

Systemtic Name: (3,5-dimethyl-4-morpholin-4-ylsulfonyl-pyrazol-1-yl)-(2-methyl-3-nitro-phenyl)methanone Openeye Name: (3,5-dimethyl-4-morpholinosulfonyl-pyrazol-1-yl)-(2-methyl-3-nitro-phenyl)methanone CAS Name: [3,5-dimethyl-4-(4-morpholinylsulfonyl)-1-pyrazolyl]-(2-methyl-3-nitrophenyl)methanone IUPAC Name: (3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-(2-methyl-3-nitrophenyl)methanone Traditional Name: (3,5-dimethyl-4-morpholinosulfonyl-pyrazol-1-yl)-(2-methyl-3-nitro-phenyl)methanone Formula: C17H20N4O6S MolecularWeight: 408.4289

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2C(=C(C(=N2)C)S(=O)(=O)N3CCOCC3)C

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2C(=C(C(=N2)C)S(=O)(=O)N3CCOCC3)C

InChI

InChI=1S/C17H20N4O6S/c1-11-14(5-4-6-15(11)21(23)24)17(22)20-13(3)16(12(2)18-20)28(25,26)19-7-9-27-10-8-19/h4-6H,7-10H2,1-3H3