[(2S)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[(2,5-dimethylphenyl)sulfonylamino]benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[(2,5-dimethylphenyl)sulfonylamino]benzoate Openeye Name: [(1S)-2-(isopropylcarbamoylamino)-1-methyl-2-oxo-ethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]benzoate CAS Name: 2-[(2,5-dimethylphenyl)sulfonylamino]benzoic acid [(2S)-1-oxo-1-[[oxo-(propan-2-ylamino)methyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[(2,5-dimethylphenyl)sulfonylamino]benzoate Traditional Name: 2-[(2,5-dimethylphenyl)sulfonylamino]benzoic acid [(1S)-2-(isopropylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O6S/c1-13(2)23-22(28)24-20(26)16(5)31-21(27)17-8-6-7-9-18(17)25-32(29,30)19-12-14(3)10-11-15(19)4/h6-13,16,25H,1-5H3,(H2,23,24,26,28)/t16-/m0/s1