[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 4-chloranyl-3-[(phenylmethyl)sulfamoyl]benzoate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 4-chloranyl-3-[(phenylmethyl)sulfamoyl]benzoate Openeye Name: (1-allophanoyl-2-methyl-propyl) 3-(benzylsulfamoyl)-4-chloro-benzoate CAS Name: 4-chloro-3-[(phenylmethyl)sulfamoyl]benzoic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(benzylsulfamoyl)-4-chlorobenzoate Traditional Name: 3-(benzylsulfamoyl)-4-chloro-benzoic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C20H22ClN3O6S MolecularWeight: 467.92318

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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)Cl)S(=O)(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC(C)C(C(=O)NC(=O)N)OC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C20H22ClN3O6S/c1-12(2)17(18(25)24-20(22)27)30-19(26)14-8-9-15(21)16(10-14)31(28,29)23-11-13-6-4-3-5-7-13/h3-10,12,17,23H,11H2,1-2H3,(H3,22,24,25,27)