[(2-methylpropanoylamino)-[2-(methylsulfonylmethyl)-3-phenylmethoxy-2H-pyridin-1-yl]methyl] ethanoate

Systemtic Name: [(2-methylpropanoylamino)-[2-(methylsulfonylmethyl)-3-phenylmethoxy-2H-pyridin-1-yl]methyl] ethanoate Openeye Name: [[3-benzyloxy-2-(methylsulfonylmethyl)-2H-pyridin-1-yl]-(2-methylpropanoylamino)methyl] acetate CAS Name: acetic acid [[(2-methyl-1-oxopropyl)amino]-[2-(methylsulfonylmethyl)-3-phenylmethoxy-2H-pyridin-1-yl]methyl] ester IUPAC Name: [(2-methylpropanoylamino)-[2-(methylsulfonylmethyl)-3-phenylmethoxy-2H-pyridin-1-yl]methyl] acetate Traditional Name: acetic acid [[3-benzoxy-2-(mesylmethyl)-2H-pyridin-1-yl]-(isobutyrylamino)methyl] ester Formula: C21H28N2O6S MolecularWeight: 436.52182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC(N1C=CC=C(C1CS(=O)(=O)C)OCC2=CC=CC=C2)OC(=O)C

Isomeric SMILES

CC(C)C(=O)NC(N1C=CC=C(C1CS(=O)(=O)C)OCC2=CC=CC=C2)OC(=O)C

InChI

InChI=1S/C21H28N2O6S/c1-15(2)20(25)22-21(29-16(3)24)23-12-8-11-19(18(23)14-30(4,26)27)28-13-17-9-6-5-7-10-17/h5-12,15,18,21H,13-14H2,1-4H3,(H,22,25)