methyl 6-[2-[2-(4-methylphenyl)sulfonylethanoyl]pyrazolidin-1-yl]carbonylpyridine-3-carboxylate

Systemtic Name: methyl 6-[2-[2-(4-methylphenyl)sulfonylethanoyl]pyrazolidin-1-yl]carbonylpyridine-3-carboxylate Openeye Name: methyl 6-[2-[2-(p-tolylsulfonyl)acetyl]pyrazolidine-1-carbonyl]pyridine-3-carboxylate CAS Name: 6-[[2-[2-(4-methylphenyl)sulfonyl-1-oxoethyl]-1-pyrazolidinyl]-oxomethyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[2-[2-(4-methylphenyl)sulfonylacetyl]pyrazolidine-1-carbonyl]pyridine-3-carboxylate Traditional Name: 6-[2-(2-tosylacetyl)pyrazolidine-1-carbonyl]nicotinic acid methyl ester Formula: C20H21N3O6S MolecularWeight: 431.46224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)N2CCCN2C(=O)C3=NC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)N2CCCN2C(=O)C3=NC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H21N3O6S/c1-14-4-7-16(8-5-14)30(27,28)13-18(24)22-10-3-11-23(22)19(25)17-9-6-15(12-21-17)20(26)29-2/h4-9,12H,3,10-11,13H2,1-2H3