pyridin-3-ylmethyl 4-[methyl-(4-methylphenyl)sulfonyl-amino]benzoate

Systemtic Name: pyridin-3-ylmethyl 4-[methyl-(4-methylphenyl)sulfonyl-amino]benzoate Openeye Name: 3-pyridylmethyl 4-[methyl(p-tolylsulfonyl)amino]benzoate CAS Name: 4-[methyl-(4-methylphenyl)sulfonylamino]benzoic acid 3-pyridinylmethyl ester IUPAC Name: pyridin-3-ylmethyl 4-[methyl-(4-methylphenyl)sulfonylamino]benzoate Traditional Name: 4-[methyl(tosyl)amino]benzoic acid 3-pyridylmethyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)OCC3=CN=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)OCC3=CN=CC=C3

InChI

InChI=1S/C21H20N2O4S/c1-16-5-11-20(12-6-16)28(25,26)23(2)19-9-7-18(8-10-19)21(24)27-15-17-4-3-13-22-14-17/h3-14H,15H2,1-2H3