(phenylmethyl) 2-[[methyl(2-pyridin-2-ylethyl)sulfamoyl]methyl]-3-phenyl-propanoate

Systemtic Name: (phenylmethyl) 2-[[methyl(2-pyridin-2-ylethyl)sulfamoyl]methyl]-3-phenyl-propanoate Openeye Name: benzyl 2-benzyl-3-[methyl-[2-(2-pyridyl)ethyl]sulfamoyl]propanoate CAS Name: 2-[[methyl-[2-(2-pyridinyl)ethyl]sulfamoyl]methyl]-3-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-benzyl-3-[methyl(2-pyridin-2-ylethyl)sulfamoyl]propanoate Traditional Name: 2-benzyl-3-[methyl-[2-(2-pyridyl)ethyl]sulfamoyl]propionic acid benzyl ester Formula: C25H28N2O4S MolecularWeight: 452.56582

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=N1)S(=O)(=O)CC(CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CN(CCC1=CC=CC=N1)S(=O)(=O)CC(CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H28N2O4S/c1-27(17-15-24-14-8-9-16-26-24)32(29,30)20-23(18-21-10-4-2-5-11-21)25(28)31-19-22-12-6-3-7-13-22/h2-14,16,23H,15,17-20H2,1H3