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

Systemtic Name: (3,5-dimethyl-4-piperidin-1-ylsulfonyl-pyrazol-1-yl)-(2-methyl-3-nitro-phenyl)methanone Openeye Name: [3,5-dimethyl-4-(1-piperidylsulfonyl)pyrazol-1-yl]-(2-methyl-3-nitro-phenyl)methanone CAS Name: [3,5-dimethyl-4-(1-piperidinylsulfonyl)-1-pyrazolyl]-(2-methyl-3-nitrophenyl)methanone IUPAC Name: (3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)-(2-methyl-3-nitrophenyl)methanone Traditional Name: (3,5-dimethyl-4-piperidinosulfonyl-pyrazol-1-yl)-(2-methyl-3-nitro-phenyl)methanone Formula: C18H22N4O5S MolecularWeight: 406.45608

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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)N3CCCCC3)C

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2C(=C(C(=N2)C)S(=O)(=O)N3CCCCC3)C

InChI

InChI=1S/C18H22N4O5S/c1-12-15(8-7-9-16(12)22(24)25)18(23)21-14(3)17(13(2)19-21)28(26,27)20-10-5-4-6-11-20/h7-9H,4-6,10-11H2,1-3H3