[1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]butan-2-yl] 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate

Systemtic Name: [1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]butan-2-yl] 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate Openeye Name: 1-[(4-sulfamoylphenyl)carbamoyl]propyl 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate CAS Name: 4-[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]benzoic acid [1-oxo-1-(4-sulfamoylanilino)butan-2-yl] ester IUPAC Name: [1-oxo-1-(4-sulfamoylanilino)butan-2-yl] 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate Traditional Name: 4-[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]benzoic acid 1-[(4-sulfamoylphenyl)carbamoyl]propyl ester Formula: C21H23N5O5S2 MolecularWeight: 489.56782

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)C2=CC=C(C=C2)N3C(=NN=C3SC)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)C2=CC=C(C=C2)N3C(=NN=C3SC)C

InChI

InChI=1S/C21H23N5O5S2/c1-4-18(19(27)23-15-7-11-17(12-8-15)33(22,29)30)31-20(28)14-5-9-16(10-6-14)26-13(2)24-25-21(26)32-3/h5-12,18H,4H2,1-3H3,(H,23,27)(H2,22,29,30)