2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[5-(1-piperidylsulfonyl)indolin-1-yl]ethanone CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-[5-(1-piperidinylsulfonyl)-2,3-dihydroindol-1-yl]ethanone IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-(5-piperidinosulfonylindolin-1-yl)ethanone Formula: C20H25N5O5S MolecularWeight: 447.508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)N2CCC3=C2C=CC(=C3)S(=O)(=O)N4CCCCC4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)N2CCC3=C2C=CC(=C3)S(=O)(=O)N4CCCCC4)C)[N+](=O)[O-]

InChI

InChI=1S/C20H25N5O5S/c1-14-20(25(27)28)15(2)24(21-14)13-19(26)23-11-8-16-12-17(6-7-18(16)23)31(29,30)22-9-4-3-5-10-22/h6-7,12H,3-5,8-11,13H2,1-2H3