2-(4-methylsulfonylphenyl)-1-[2-[2-(2-nitrophenoxy)ethanoyl]pyrazolidin-1-yl]ethanone

Systemtic Name: 2-(4-methylsulfonylphenyl)-1-[2-[2-(2-nitrophenoxy)ethanoyl]pyrazolidin-1-yl]ethanone Openeye Name: 2-(4-methylsulfonylphenyl)-1-[2-[2-(2-nitrophenoxy)acetyl]pyrazolidin-1-yl]ethanone CAS Name: 2-(4-methylsulfonylphenyl)-1-[2-[2-(2-nitrophenoxy)-1-oxoethyl]-1-pyrazolidinyl]ethanone IUPAC Name: 2-(4-methylsulfonylphenyl)-1-[2-[2-(2-nitrophenoxy)acetyl]pyrazolidin-1-yl]ethanone Traditional Name: 2-(4-mesylphenyl)-1-[2-[2-(2-nitrophenoxy)acetyl]pyrazolidin-1-yl]ethanone Formula: C20H21N3O7S MolecularWeight: 447.46164

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CC(=O)N2CCCN2C(=O)COC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CC(=O)N2CCCN2C(=O)COC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O7S/c1-31(28,29)16-9-7-15(8-10-16)13-19(24)21-11-4-12-22(21)20(25)14-30-18-6-3-2-5-17(18)23(26)27/h2-3,5-10H,4,11-14H2,1H3