methyl 3-[2-(2-methylsulfonylphenyl)carbonylpyrazolidin-1-yl]carbonylpyridine-4-carboxylate

Systemtic Name: methyl 3-[2-(2-methylsulfonylphenyl)carbonylpyrazolidin-1-yl]carbonylpyridine-4-carboxylate Openeye Name: methyl 3-[2-(2-methylsulfonylbenzoyl)pyrazolidine-1-carbonyl]pyridine-4-carboxylate CAS Name: 3-[[2-[(2-methylsulfonylphenyl)-oxomethyl]-1-pyrazolidinyl]-oxomethyl]-4-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-[2-(2-methylsulfonylbenzoyl)pyrazolidine-1-carbonyl]pyridine-4-carboxylate Traditional Name: 3-[2-(2-mesylbenzoyl)pyrazolidine-1-carbonyl]isonicotinic acid methyl ester Formula: C19H19N3O6S MolecularWeight: 417.43566

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=NC=C1)C(=O)N2CCCN2C(=O)C3=CC=CC=C3S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=C(C=NC=C1)C(=O)N2CCCN2C(=O)C3=CC=CC=C3S(=O)(=O)C

InChI

InChI=1S/C19H19N3O6S/c1-28-19(25)13-8-9-20-12-15(13)18(24)22-11-5-10-21(22)17(23)14-6-3-4-7-16(14)29(2,26)27/h3-4,6-9,12H,5,10-11H2,1-2H3