[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-[(5-bromanylthiophen-2-yl)sulfonylamino]benzoate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-[(5-bromanylthiophen-2-yl)sulfonylamino]benzoate Openeye Name: (1-allophanoyl-2-methyl-propyl) 2-[(5-bromo-2-thienyl)sulfonylamino]benzoate CAS Name: 2-[(5-bromo-2-thiophenyl)sulfonylamino]benzoic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-[(5-bromothiophen-2-yl)sulfonylamino]benzoate Traditional Name: 2-[(5-bromo-2-thienyl)sulfonylamino]benzoic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C17H18BrN3O6S2 MolecularWeight: 504.37532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)OC(=O)C1=CC=CC=C1NS(=O)(=O)C2=CC=C(S2)Br

Isomeric SMILES

CC(C)C(C(=O)NC(=O)N)OC(=O)C1=CC=CC=C1NS(=O)(=O)C2=CC=C(S2)Br

InChI

InChI=1S/C17H18BrN3O6S2/c1-9(2)14(15(22)20-17(19)24)27-16(23)10-5-3-4-6-11(10)21-29(25,26)13-8-7-12(18)28-13/h3-9,14,21H,1-2H3,(H3,19,20,22,24)