2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-[6-(1-pyrrolidinylsulfonyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-(6-pyrrolidinosulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone Formula: C20H25N5O5S MolecularWeight: 447.508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)N2CCCC3=C2C=CC(=C3)S(=O)(=O)N4CCCC4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)N2CCCC3=C2C=CC(=C3)S(=O)(=O)N4CCCC4)C)[N+](=O)[O-]

InChI

InChI=1S/C20H25N5O5S/c1-14-20(25(27)28)15(2)24(21-14)13-19(26)23-11-5-6-16-12-17(7-8-18(16)23)31(29,30)22-9-3-4-10-22/h7-8,12H,3-6,9-11,13H2,1-2H3