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

Systemtic Name: methyl 2-[[5-(2-azanylethyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfonyl]ethanoate Openeye Name: methyl 2-[[5-(2-aminoethyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfonyl]acetate CAS Name: 2-[[5-(2-aminoethyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfonyl]acetic acid methyl ester IUPAC Name: methyl 2-[[5-(2-aminoethyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfonyl]acetate Traditional Name: 2-[[5-(2-aminoethyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfonyl]acetic acid methyl ester Formula: C15H20N4O4S MolecularWeight: 352.4087

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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