[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 4-(2,5-dimethylphenyl)sulfonyloxybenzoate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 4-(2,5-dimethylphenyl)sulfonyloxybenzoate Openeye Name: (1-allophanoyl-2-methyl-propyl) 4-(2,5-dimethylphenyl)sulfonyloxybenzoate CAS Name: 4-(2,5-dimethylphenyl)sulfonyloxybenzoic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-(2,5-dimethylphenyl)sulfonyloxybenzoate Traditional Name: 4-(2,5-dimethylphenyl)sulfonyloxybenzoic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C21H24N2O7S MolecularWeight: 448.48946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)OC(C(C)C)C(=O)NC(=O)N

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)OC(C(C)C)C(=O)NC(=O)N

InChI

InChI=1S/C21H24N2O7S/c1-12(2)18(19(24)23-21(22)26)29-20(25)15-7-9-16(10-8-15)30-31(27,28)17-11-13(3)5-6-14(17)4/h5-12,18H,1-4H3,(H3,22,23,24,26)