[(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 3-[(3-fluoranyl-4-methyl-phenyl)sulfonylamino]benzoate

Systemtic Name: [(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 3-[(3-fluoranyl-4-methyl-phenyl)sulfonylamino]benzoate Openeye Name: [(1R)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] 3-[(3-fluoro-4-methyl-phenyl)sulfonylamino]benzoate CAS Name: 3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzoic acid [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzoate Traditional Name: 3-[(3-fluoro-4-methyl-phenyl)sulfonylamino]benzoic acid [(1R)-2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H21FN2O5S MolecularWeight: 420.454543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)OC(C)C(=O)NC3CC3)F

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)O[C@H](C)C(=O)NC3CC3)F

InChI

InChI=1S/C20H21FN2O5S/c1-12-6-9-17(11-18(12)21)29(26,27)23-16-5-3-4-14(10-16)20(25)28-13(2)19(24)22-15-7-8-15/h3-6,9-11,13,15,23H,7-8H2,1-2H3,(H,22,24)/t13-/m1/s1