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

Systemtic Name: methyl 3-[[5-(2-azanylethyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfonyl]propanoate Openeye Name: methyl 3-[[5-(2-aminoethyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfonyl]propanoate CAS Name: 3-[[5-(2-aminoethyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfonyl]propanoic acid methyl ester IUPAC Name: methyl 3-[[5-(2-aminoethyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfonyl]propanoate Traditional Name: 3-[[5-(2-aminoethyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfonyl]propionic acid methyl ester Formula: C16H22N4O4S MolecularWeight: 366.43528

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCS(=O)(=O)C1=NN=C(N1CCC2=CC=CC=C2)CCN

Isomeric SMILES

COC(=O)CCS(=O)(=O)C1=NN=C(N1CCC2=CC=CC=C2)CCN

InChI

InChI=1S/C16H22N4O4S/c1-24-15(21)9-12-25(22,23)16-19-18-14(7-10-17)20(16)11-8-13-5-3-2-4-6-13/h2-6H,7-12,17H2,1H3