methyl 2-[2-(2-oxidanylidene-5-pyrrolidin-1-ylsulfonyl-pyridin-1-yl)ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-(2-oxidanylidene-5-pyrrolidin-1-ylsulfonyl-pyridin-1-yl)ethanoylamino]benzoate Openeye Name: methyl 2-[[2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridyl)acetyl]amino]benzoate CAS Name: 2-[[1-oxo-2-[2-oxo-5-(1-pyrrolidinylsulfonyl)-1-pyridinyl]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(2-oxo-5-pyrrolidin-1-ylsulfonylpyridin-1-yl)acetyl]amino]benzoate Traditional Name: 2-[[2-(2-keto-5-pyrrolidinosulfonyl-1-pyridyl)acetyl]amino]benzoic acid methyl ester Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CN2C=C(C=CC2=O)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CN2C=C(C=CC2=O)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C19H21N3O6S/c1-28-19(25)15-6-2-3-7-16(15)20-17(23)13-21-12-14(8-9-18(21)24)29(26,27)22-10-4-5-11-22/h2-3,6-9,12H,4-5,10-11,13H2,1H3,(H,20,23)