methyl 2-[(2,5-dimethylphenyl)sulfonyl-(1,2,4-triazol-4-yl)amino]ethanoate

Systemtic Name: methyl 2-[(2,5-dimethylphenyl)sulfonyl-(1,2,4-triazol-4-yl)amino]ethanoate Openeye Name: methyl 2-[(2,5-dimethylphenyl)sulfonyl-(1,2,4-triazol-4-yl)amino]acetate CAS Name: 2-[(2,5-dimethylphenyl)sulfonyl-(1,2,4-triazol-4-yl)amino]acetic acid methyl ester IUPAC Name: methyl 2-[(2,5-dimethylphenyl)sulfonyl-(1,2,4-triazol-4-yl)amino]acetate Traditional Name: 2-[(2,5-dimethylphenyl)sulfonyl-(1,2,4-triazol-4-yl)amino]acetic acid methyl ester Formula: C13H16N4O4S MolecularWeight: 324.35554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N(CC(=O)OC)N2C=NN=C2

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N(CC(=O)OC)N2C=NN=C2

InChI

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