methyl 4-[[3-(pyridin-3-ylsulfonylamino)propanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[3-(pyridin-3-ylsulfonylamino)propanoylamino]methyl]benzoate Openeye Name: methyl 4-[[3-(3-pyridylsulfonylamino)propanoylamino]methyl]benzoate CAS Name: 4-[[[1-oxo-3-(3-pyridinylsulfonylamino)propyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(pyridin-3-ylsulfonylamino)propanoylamino]methyl]benzoate Traditional Name: 4-[[3-(3-pyridylsulfonylamino)propanoylamino]methyl]benzoic acid methyl ester Formula: C17H19N3O5S MolecularWeight: 377.41486

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CCNS(=O)(=O)C2=CN=CC=C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CCNS(=O)(=O)C2=CN=CC=C2

InChI

InChI=1S/C17H19N3O5S/c1-25-17(22)14-6-4-13(5-7-14)11-19-16(21)8-10-20-26(23,24)15-3-2-9-18-12-15/h2-7,9,12,20H,8,10-11H2,1H3,(H,19,21)