methyl 6-[2-(2-methylsulfonylphenyl)carbonylpyrazolidin-1-yl]carbonylpyridine-3-carboxylate

Systemtic Name: methyl 6-[2-(2-methylsulfonylphenyl)carbonylpyrazolidin-1-yl]carbonylpyridine-3-carboxylate Openeye Name: methyl 6-[2-(2-methylsulfonylbenzoyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate CAS Name: 6-[[2-[(2-methylsulfonylphenyl)-oxomethyl]-1-pyrazolidinyl]-oxomethyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[2-(2-methylsulfonylbenzoyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate Traditional Name: 6-[2-(2-mesylbenzoyl)pyrazolidine-1-carbonyl]nicotinic acid methyl ester Formula: C19H19N3O6S MolecularWeight: 417.43566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O6S/c1-28-19(25)13-8-9-15(20-12-13)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