methyl 6-[2-(5-methylsulfonylthiophen-2-yl)carbonylpyrazolidin-1-yl]carbonylpyridine-3-carboxylate

Systemtic Name: methyl 6-[2-(5-methylsulfonylthiophen-2-yl)carbonylpyrazolidin-1-yl]carbonylpyridine-3-carboxylate Openeye Name: methyl 6-[2-(5-methylsulfonylthiophene-2-carbonyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate CAS Name: 6-[[2-[(5-methylsulfonyl-2-thiophenyl)-oxomethyl]-1-pyrazolidinyl]-oxomethyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[2-(5-methylsulfonylthiophene-2-carbonyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate Traditional Name: 6-[2-(5-mesylthiophene-2-carbonyl)pyrazolidine-1-carbonyl]nicotinic acid methyl ester Formula: C17H17N3O6S2 MolecularWeight: 423.46338

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(C=C1)C(=O)N2CCCN2C(=O)C3=CC=C(S3)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CN=C(C=C1)C(=O)N2CCCN2C(=O)C3=CC=C(S3)S(=O)(=O)C

InChI

InChI=1S/C17H17N3O6S2/c1-26-17(23)11-4-5-12(18-10-11)15(21)19-8-3-9-20(19)16(22)13-6-7-14(27-13)28(2,24)25/h4-7,10H,3,8-9H2,1-2H3