[(2R)-1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 3-[butyl(phenyl)sulfamoyl]benzoate

Systemtic Name: [(2R)-1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 3-[butyl(phenyl)sulfamoyl]benzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-ureido-ethyl] 3-[butyl(phenyl)sulfamoyl]benzoate CAS Name: 3-[butyl(phenyl)sulfamoyl]benzoic acid [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-[butyl(phenyl)sulfamoyl]benzoate Traditional Name: 3-[butyl(phenyl)sulfamoyl]benzoic acid [(1R)-2-keto-1-methyl-2-ureido-ethyl] ester Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC(C)C(=O)NC(=O)N

Isomeric SMILES

CCCCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)O[C@H](C)C(=O)NC(=O)N

InChI

InChI=1S/C21H25N3O6S/c1-3-4-13-24(17-10-6-5-7-11-17)31(28,29)18-12-8-9-16(14-18)20(26)30-15(2)19(25)23-21(22)27/h5-12,14-15H,3-4,13H2,1-2H3,(H3,22,23,25,27)/t15-/m1/s1