methyl 3-[[5-(2-azanylethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfonyl]propanoate

Systemtic Name: methyl 3-[[5-(2-azanylethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfonyl]propanoate Openeye Name: methyl 3-[[5-(2-aminoethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfonyl]propanoate CAS Name: 3-[[5-(2-aminoethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfonyl]propanoic acid methyl ester IUPAC Name: methyl 3-[[5-(2-aminoethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfonyl]propanoate Traditional Name: 3-[[5-(2-aminoethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfonyl]propionic acid methyl ester Formula: C14H18N4O4S MolecularWeight: 338.38212

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCS(=O)(=O)C1=NN=C(N1C2=CC=CC=C2)CCN

Isomeric SMILES

COC(=O)CCS(=O)(=O)C1=NN=C(N1C2=CC=CC=C2)CCN

InChI

InChI=1S/C14H18N4O4S/c1-22-13(19)8-10-23(20,21)14-17-16-12(7-9-15)18(14)11-5-3-2-4-6-11/h2-6H,7-10,15H2,1H3