methyl 3-[(cyclobutylcarbonylamino)methyl]-5-[(4-fluorophenyl)sulfonylamino]benzoate

Systemtic Name: methyl 3-[(cyclobutylcarbonylamino)methyl]-5-[(4-fluorophenyl)sulfonylamino]benzoate Openeye Name: methyl 3-[(cyclobutanecarbonylamino)methyl]-5-[(4-fluorophenyl)sulfonylamino]benzoate CAS Name: 3-[[[cyclobutyl(oxo)methyl]amino]methyl]-5-[(4-fluorophenyl)sulfonylamino]benzoic acid methyl ester IUPAC Name: methyl 3-[(cyclobutanecarbonylamino)methyl]-5-[(4-fluorophenyl)sulfonylamino]benzoate Traditional Name: 3-[(cyclobutanecarbonylamino)methyl]-5-[(4-fluorophenyl)sulfonylamino]benzoic acid methyl ester Formula: C20H21FN2O5S MolecularWeight: 420.454543

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)F)CNC(=O)C3CCC3

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)F)CNC(=O)C3CCC3

InChI

InChI=1S/C20H21FN2O5S/c1-28-20(25)15-9-13(12-22-19(24)14-3-2-4-14)10-17(11-15)23-29(26,27)18-7-5-16(21)6-8-18/h5-11,14,23H,2-4,12H2,1H3,(H,22,24)