(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl 3-(4-methylphenyl)sulfonylpropanoate

Systemtic Name: (1-phenyl-1,2,3,4-tetrazol-5-yl)methyl 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: (1-phenyltetrazol-5-yl)methyl 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid (1-phenyl-5-tetrazolyl)methyl ester IUPAC Name: (1-phenyltetrazol-5-yl)methyl 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid (1-phenyltetrazol-5-yl)methyl ester Formula: C18H18N4O4S MolecularWeight: 386.42492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C18H18N4O4S/c1-14-7-9-16(10-8-14)27(24,25)12-11-18(23)26-13-17-19-20-21-22(17)15-5-3-2-4-6-15/h2-10H,11-13H2,1H3