[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 3-methylsulfonylbenzoate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 3-methylsulfonylbenzoate Openeye Name: (1-allophanoyl-2-methyl-propyl) 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C14H18N2O6S MolecularWeight: 342.36752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)OC(=O)C1=CC(=CC=C1)S(=O)(=O)C

Isomeric SMILES

CC(C)C(C(=O)NC(=O)N)OC(=O)C1=CC(=CC=C1)S(=O)(=O)C

InChI

InChI=1S/C14H18N2O6S/c1-8(2)11(12(17)16-14(15)19)22-13(18)9-5-4-6-10(7-9)23(3,20)21/h4-8,11H,1-3H3,(H3,15,16,17,19)