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

Systemtic Name: methyl 3-[[5-(2-azanylethyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfonyl]propanoate Openeye Name: methyl 3-[[5-(2-aminoethyl)-4-benzyl-1,2,4-triazol-3-yl]sulfonyl]propanoate CAS Name: 3-[[5-(2-aminoethyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfonyl]propanoic acid methyl ester IUPAC Name: methyl 3-[[5-(2-aminoethyl)-4-benzyl-1,2,4-triazol-3-yl]sulfonyl]propanoate Traditional Name: 3-[[5-(2-aminoethyl)-4-benzyl-1,2,4-triazol-3-yl]sulfonyl]propionic acid methyl ester Formula: C15H20N4O4S MolecularWeight: 352.4087

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCS(=O)(=O)C1=NN=C(N1CC2=CC=CC=C2)CCN

Isomeric SMILES

COC(=O)CCS(=O)(=O)C1=NN=C(N1CC2=CC=CC=C2)CCN

InChI

InChI=1S/C15H20N4O4S/c1-23-14(20)8-10-24(21,22)15-18-17-13(7-9-16)19(15)11-12-5-3-2-4-6-12/h2-6H,7-11,16H2,1H3