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

Systemtic Name: methyl 2-[(4-methylphenyl)sulfonyl-(1,2,4-triazol-4-yl)amino]ethanoate Openeye Name: methyl 2-[p-tolylsulfonyl(1,2,4-triazol-4-yl)amino]acetate CAS Name: 2-[(4-methylphenyl)sulfonyl-(1,2,4-triazol-4-yl)amino]acetic acid methyl ester IUPAC Name: methyl 2-[(4-methylphenyl)sulfonyl-(1,2,4-triazol-4-yl)amino]acetate Traditional Name: 2-[tosyl(1,2,4-triazol-4-yl)amino]acetic acid methyl ester Formula: C12H14N4O4S MolecularWeight: 310.32896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N4O4S/c1-10-3-5-11(6-4-10)21(18,19)16(7-12(17)20-2)15-8-13-14-9-15/h3-6,8-9H,7H2,1-2H3