[2-(aminocarbonylamino)-2-oxidanylidene-ethyl] 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]benzoate

Systemtic Name: [2-(aminocarbonylamino)-2-oxidanylidene-ethyl] 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]benzoate Openeye Name: (2-oxo-2-ureido-ethyl) 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]benzoate CAS Name: 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]benzoic acid [2-(carbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(carbamoylamino)-2-oxoethyl] 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]benzoate Traditional Name: 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]benzoic acid (2-keto-2-ureido-ethyl) ester Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)OCC(=O)NC(=O)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)OCC(=O)NC(=O)N

InChI

InChI=1S/C21H25N3O6S/c1-21(2,3)16-8-10-17(11-9-16)31(28,29)23-12-14-4-6-15(7-5-14)19(26)30-13-18(25)24-20(22)27/h4-11,23H,12-13H2,1-3H3,(H3,22,24,25,27)