[1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]benzoate

Systemtic Name: [1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]benzoate Openeye Name: (1-methyl-2-oxo-2-ureido-ethyl) 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]benzoate CAS Name: 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]benzoic acid [1-(carbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-1-oxopropan-2-yl] 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]benzoate Traditional Name: 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]benzoic acid (2-keto-1-methyl-2-ureido-ethyl) ester Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)N)OC(=O)C1=CC=C(C=C1)CNS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC(C(=O)NC(=O)N)OC(=O)C1=CC=C(C=C1)CNS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C22H27N3O6S/c1-14(19(26)25-21(23)28)31-20(27)16-7-5-15(6-8-16)13-24-32(29,30)18-11-9-17(10-12-18)22(2,3)4/h5-12,14,24H,13H2,1-4H3,(H3,23,25,26,28)