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

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 4-[ethyl(phenyl)sulfamoyl]benzoate Openeye Name: (1-allophanoyl-2-methyl-propyl) 4-[ethyl(phenyl)sulfamoyl]benzoate CAS Name: 4-[ethyl(phenyl)sulfamoyl]benzoic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-[ethyl(phenyl)sulfamoyl]benzoate Traditional Name: 4-[ethyl(phenyl)sulfamoyl]benzoic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O6S/c1-4-24(16-8-6-5-7-9-16)31(28,29)17-12-10-15(11-13-17)20(26)30-18(14(2)3)19(25)23-21(22)27/h5-14,18H,4H2,1-3H3,(H3,22,23,25,27)