2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone

Systemtic Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone Openeye Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone CAS Name: 2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone IUPAC Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone Traditional Name: 2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)-1-(3-phenyl-2-pyrazolin-1-yl)ethanone Formula: C21H22N4O6S MolecularWeight: 458.48758

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)N3CCC(=N3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)N3CCC(=N3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O6S/c26-21(24-13-10-18(22-24)16-6-2-1-3-7-16)15-31-20-9-8-17(14-19(20)25(27)28)32(29,30)23-11-4-5-12-23/h1-3,6-9,14H,4-5,10-13,15H2