methyl 2-[4-[[[3-(2-methylsulfonylethanoylamino)pyridin-2-yl]amino]methyl]phenyl]benzoate

Systemtic Name: methyl 2-[4-[[[3-(2-methylsulfonylethanoylamino)pyridin-2-yl]amino]methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[[[3-[(2-methylsulfonylacetyl)amino]-2-pyridyl]amino]methyl]phenyl]benzoate CAS Name: 2-[4-[[[3-[(2-methylsulfonyl-1-oxoethyl)amino]-2-pyridinyl]amino]methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[[[3-[(2-methylsulfonylacetyl)amino]pyridin-2-yl]amino]methyl]phenyl]benzoate Traditional Name: 2-[4-[[[3-[(2-mesylacetyl)amino]-2-pyridyl]amino]methyl]phenyl]benzoic acid methyl ester Formula: C23H23N3O5S MolecularWeight: 453.51082

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C2=CC=C(C=C2)CNC3=C(C=CC=N3)NC(=O)CS(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC=CC=C1C2=CC=C(C=C2)CNC3=C(C=CC=N3)NC(=O)CS(=O)(=O)C

InChI

InChI=1S/C23H23N3O5S/c1-31-23(28)19-7-4-3-6-18(19)17-11-9-16(10-12-17)14-25-22-20(8-5-13-24-22)26-21(27)15-32(2,29)30/h3-13H,14-15H2,1-2H3,(H,24,25)(H,26,27)