[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]benzoate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]benzoate Openeye Name: (1-allophanoyl-2-methyl-propyl) 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]benzoate CAS Name: 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]benzoic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]benzoate Traditional Name: 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]benzoic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C24H31N3O6S MolecularWeight: 489.58444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(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)C(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/C24H31N3O6S/c1-15(2)20(21(28)27-23(25)30)33-22(29)17-8-6-16(7-9-17)14-26-34(31,32)19-12-10-18(11-13-19)24(3,4)5/h6-13,15,20,26H,14H2,1-5H3,(H3,25,27,28,30)