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

Systemtic Name: ethyl 3-[[2-(2-methylsulfonylphenyl)carbonylpyrazolidin-1-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[[2-(2-methylsulfonylbenzoyl)pyrazolidine-1-carbonyl]amino]benzoate CAS Name: 3-[[[2-[(2-methylsulfonylphenyl)-oxomethyl]-1-pyrazolidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(2-methylsulfonylbenzoyl)pyrazolidine-1-carbonyl]amino]benzoate Traditional Name: 3-[[2-(2-mesylbenzoyl)pyrazolidine-1-carbonyl]amino]benzoic acid ethyl ester Formula: C21H23N3O6S MolecularWeight: 445.48882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O6S/c1-3-30-20(26)15-8-6-9-16(14-15)22-21(27)24-13-7-12-23(24)19(25)17-10-4-5-11-18(17)31(2,28)29/h4-6,8-11,14H,3,7,12-13H2,1-2H3,(H,22,27)