[(2R)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(propylsulfamoyl)benzoate

Systemtic Name: [(2R)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(propylsulfamoyl)benzoate Openeye Name: [(1R)-2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl] 3-(propylsulfamoyl)benzoate CAS Name: 3-(propylsulfamoyl)benzoic acid [(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 3-(propylsulfamoyl)benzoate Traditional Name: 3-(propylsulfamoyl)benzoic acid [(1R)-2-(2-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CCCNS(=O)(=O)C1=CC=CC(=C1)C(=O)OC(C)C(=O)NC2=CC=CC=C2C#N

Isomeric SMILES

CCCNS(=O)(=O)C1=CC=CC(=C1)C(=O)O[C@H](C)C(=O)NC2=CC=CC=C2C#N

InChI

InChI=1S/C20H21N3O5S/c1-3-11-22-29(26,27)17-9-6-8-15(12-17)20(25)28-14(2)19(24)23-18-10-5-4-7-16(18)13-21/h4-10,12,14,22H,3,11H2,1-2H3,(H,23,24)/t14-/m1/s1