ethyl 3-[[2-(5-methylsulfonylthiophen-2-yl)carbonylpyrazolidin-1-yl]carbonylamino]benzoate

Systemtic Name: ethyl 3-[[2-(5-methylsulfonylthiophen-2-yl)carbonylpyrazolidin-1-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[[2-(5-methylsulfonylthiophene-2-carbonyl)pyrazolidine-1-carbonyl]amino]benzoate CAS Name: 3-[[[2-[(5-methylsulfonyl-2-thiophenyl)-oxomethyl]-1-pyrazolidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(5-methylsulfonylthiophene-2-carbonyl)pyrazolidine-1-carbonyl]amino]benzoate Traditional Name: 3-[[2-(5-mesylthiophene-2-carbonyl)pyrazolidine-1-carbonyl]amino]benzoic acid ethyl ester Formula: C19H21N3O6S2 MolecularWeight: 451.51654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)N2CCCN2C(=O)C3=CC=C(S3)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)N2CCCN2C(=O)C3=CC=C(S3)S(=O)(=O)C

InChI

InChI=1S/C19H21N3O6S2/c1-3-28-18(24)13-6-4-7-14(12-13)20-19(25)22-11-5-10-21(22)17(23)15-8-9-16(29-15)30(2,26)27/h4,6-9,12H,3,5,10-11H2,1-2H3,(H,20,25)