[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-propanoate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-propanoate Openeye Name: (1-allophanoyl-2-methyl-propyl) 2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-propanoate CAS Name: 2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanoic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanoate Traditional Name: 2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-propionic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C21H24FN3O6S MolecularWeight: 465.495163

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)OC(=O)C(CC1=CC=CC=C1)NS(=O)(=O)C2=CC=CC=C2F

Isomeric SMILES

CC(C)C(C(=O)NC(=O)N)OC(=O)C(CC1=CC=CC=C1)NS(=O)(=O)C2=CC=CC=C2F

InChI

InChI=1S/C21H24FN3O6S/c1-13(2)18(19(26)24-21(23)28)31-20(27)16(12-14-8-4-3-5-9-14)25-32(29,30)17-11-7-6-10-15(17)22/h3-11,13,16,18,25H,12H2,1-2H3,(H3,23,24,26,28)