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

Systemtic Name: methyl 3-[[3-(methylsulfonylmethyl)phenyl]carbonylamino]-4-pyrrolidin-1-yl-benzoate Openeye Name: methyl 3-[[3-(methylsulfonylmethyl)benzoyl]amino]-4-pyrrolidin-1-yl-benzoate CAS Name: 3-[[[3-(methylsulfonylmethyl)phenyl]-oxomethyl]amino]-4-(1-pyrrolidinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[[3-(methylsulfonylmethyl)benzoyl]amino]-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-[[3-(mesylmethyl)benzoyl]amino]-4-pyrrolidino-benzoic acid methyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)C3=CC(=CC=C3)CS(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)C3=CC(=CC=C3)CS(=O)(=O)C

InChI

InChI=1S/C21H24N2O5S/c1-28-21(25)17-8-9-19(23-10-3-4-11-23)18(13-17)22-20(24)16-7-5-6-15(12-16)14-29(2,26)27/h5-9,12-13H,3-4,10-11,14H2,1-2H3,(H,22,24)