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

Systemtic Name: pyridin-3-yl 4-[methyl-(4-methylphenyl)sulfonyl-amino]benzoate Openeye Name: 3-pyridyl 4-[methyl(p-tolylsulfonyl)amino]benzoate CAS Name: 4-[methyl-(4-methylphenyl)sulfonylamino]benzoic acid 3-pyridinyl ester IUPAC Name: pyridin-3-yl 4-[methyl-(4-methylphenyl)sulfonylamino]benzoate Traditional Name: 4-[methyl(tosyl)amino]benzoic acid 3-pyridyl ester Formula: C20H18N2O4S MolecularWeight: 382.43292

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)OC3=CN=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)OC3=CN=CC=C3

InChI

InChI=1S/C20H18N2O4S/c1-15-5-11-19(12-6-15)27(24,25)22(2)17-9-7-16(8-10-17)20(23)26-18-4-3-13-21-14-18/h3-14H,1-2H3