pyridin-2-ylmethyl 4-[methyl-(4-methylphenyl)sulfonyl-amino]benzoate

Systemtic Name: pyridin-2-ylmethyl 4-[methyl-(4-methylphenyl)sulfonyl-amino]benzoate Openeye Name: 2-pyridylmethyl 4-[methyl(p-tolylsulfonyl)amino]benzoate CAS Name: 4-[methyl-(4-methylphenyl)sulfonylamino]benzoic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 4-[methyl-(4-methylphenyl)sulfonylamino]benzoate Traditional Name: 4-[methyl(tosyl)amino]benzoic acid 2-pyridylmethyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)OCC3=CC=CC=N3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)OCC3=CC=CC=N3

InChI

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