ethyl 1-[(4-aminophenyl)sulfonylmethyl]-5-methyl-1,2,3-triazole-4-carboxylate

Systemtic Name: ethyl 1-[(4-aminophenyl)sulfonylmethyl]-5-methyl-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 1-[(4-aminophenyl)sulfonylmethyl]-5-methyl-triazole-4-carboxylate CAS Name: 1-[(4-aminophenyl)sulfonylmethyl]-5-methyl-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-aminophenyl)sulfonylmethyl]-5-methyltriazole-4-carboxylate Traditional Name: 5-methyl-1-(sulfanilylmethyl)triazole-4-carboxylic acid ethyl ester Formula: C13H16N4O4S MolecularWeight: 324.35554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=N1)CS(=O)(=O)C2=CC=C(C=C2)N)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=N1)CS(=O)(=O)C2=CC=C(C=C2)N)C

InChI

InChI=1S/C13H16N4O4S/c1-3-21-13(18)12-9(2)17(16-15-12)8-22(19,20)11-6-4-10(14)5-7-11/h4-7H,3,8,14H2,1-2H3