methyl 2-[[1-(4-methylphenyl)sulfonyl-5-oxidanylidene-pyrrolidin-2-yl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[1-(4-methylphenyl)sulfonyl-5-oxidanylidene-pyrrolidin-2-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[5-oxo-1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]benzoate CAS Name: 2-[[[1-(4-methylphenyl)sulfonyl-5-oxo-2-pyrrolidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carbonyl]amino]benzoate Traditional Name: 2-[(5-keto-1-tosyl-prolyl)amino]benzoic acid methyl ester Formula: C20H20N2O6S MolecularWeight: 416.4476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(CCC2=O)C(=O)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(CCC2=O)C(=O)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C20H20N2O6S/c1-13-7-9-14(10-8-13)29(26,27)22-17(11-12-18(22)23)19(24)21-16-6-4-3-5-15(16)20(25)28-2/h3-10,17H,11-12H2,1-2H3,(H,21,24)