[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-methyl-3-sulfamoyl-benzoate

Systemtic Name: [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-methyl-3-sulfamoyl-benzoate Openeye Name: [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-methyl-3-sulfamoyl-benzoate CAS Name: 4-methyl-3-sulfamoylbenzoic acid [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-methyl-3-sulfamoylbenzoate Traditional Name: 4-methyl-3-sulfamoyl-benzoic acid [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C17H14BrN3O5S MolecularWeight: 452.27916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=NC(=NO2)C3=CC(=CC=C3)Br)S(=O)(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=NC(=NO2)C3=CC(=CC=C3)Br)S(=O)(=O)N

InChI

InChI=1S/C17H14BrN3O5S/c1-10-5-6-12(8-14(10)27(19,23)24)17(22)25-9-15-20-16(21-26-15)11-3-2-4-13(18)7-11/h2-8H,9H2,1H3,(H2,19,23,24)