(3,5-dimethyl-4-piperidin-1-ylsulfonyl-pyrazol-1-yl)-(2-nitrophenyl)methanone

Systemtic Name: (3,5-dimethyl-4-piperidin-1-ylsulfonyl-pyrazol-1-yl)-(2-nitrophenyl)methanone Openeye Name: [3,5-dimethyl-4-(1-piperidylsulfonyl)pyrazol-1-yl]-(2-nitrophenyl)methanone CAS Name: [3,5-dimethyl-4-(1-piperidinylsulfonyl)-1-pyrazolyl]-(2-nitrophenyl)methanone IUPAC Name: (3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)-(2-nitrophenyl)methanone Traditional Name: (3,5-dimethyl-4-piperidinosulfonyl-pyrazol-1-yl)-(2-nitrophenyl)methanone Formula: C17H20N4O5S MolecularWeight: 392.4295

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)C2=CC=CC=C2[N+](=O)[O-])C)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C(=NN1C(=O)C2=CC=CC=C2[N+](=O)[O-])C)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C17H20N4O5S/c1-12-16(27(25,26)19-10-6-3-7-11-19)13(2)20(18-12)17(22)14-8-4-5-9-15(14)21(23)24/h4-5,8-9H,3,6-7,10-11H2,1-2H3