methyl 4-pyrrolidin-1-yl-3-[[4-(trifluoromethylsulfonyl)phenyl]carbonylamino]benzoate

Systemtic Name: methyl 4-pyrrolidin-1-yl-3-[[4-(trifluoromethylsulfonyl)phenyl]carbonylamino]benzoate Openeye Name: methyl 4-pyrrolidin-1-yl-3-[[4-(trifluoromethylsulfonyl)benzoyl]amino]benzoate CAS Name: 3-[[oxo-[4-(trifluoromethylsulfonyl)phenyl]methyl]amino]-4-(1-pyrrolidinyl)benzoic acid methyl ester IUPAC Name: methyl 4-pyrrolidin-1-yl-3-[[4-(trifluoromethylsulfonyl)benzoyl]amino]benzoate Traditional Name: 4-pyrrolidino-3-[(4-triflylbenzoyl)amino]benzoic acid methyl ester Formula: C20H19F3N2O5S MolecularWeight: 456.43547

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C20H19F3N2O5S/c1-30-19(27)14-6-9-17(25-10-2-3-11-25)16(12-14)24-18(26)13-4-7-15(8-5-13)31(28,29)20(21,22)23/h4-9,12H,2-3,10-11H2,1H3,(H,24,26)