[(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-[(2,5-dimethylphenyl)sulfonylamino]benzoate

Systemtic Name: [(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-[(2,5-dimethylphenyl)sulfonylamino]benzoate Openeye Name: [(1R)-1-allophanoyl-2-methyl-propyl] 2-[(2,5-dimethylphenyl)sulfonylamino]benzoate CAS Name: 2-[(2,5-dimethylphenyl)sulfonylamino]benzoic acid [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-[(2,5-dimethylphenyl)sulfonylamino]benzoate Traditional Name: 2-[(2,5-dimethylphenyl)sulfonylamino]benzoic acid [(1R)-1-allophanoyl-2-methyl-propyl] ester Formula: C21H25N3O6S MolecularWeight: 447.5047

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC=CC=C2C(=O)OC(C(C)C)C(=O)NC(=O)N

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC=CC=C2C(=O)O[C@H](C(C)C)C(=O)NC(=O)N

InChI

InChI=1S/C21H25N3O6S/c1-12(2)18(19(25)23-21(22)27)30-20(26)15-7-5-6-8-16(15)24-31(28,29)17-11-13(3)9-10-14(17)4/h5-12,18,24H,1-4H3,(H3,22,23,25,27)/t18-/m1/s1