methyl 4-[[3-(phenylsulfonyl)propanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[3-(phenylsulfonyl)propanoylamino]methyl]benzoate Openeye Name: methyl 4-[[3-(benzenesulfonyl)propanoylamino]methyl]benzoate CAS Name: 4-[[[3-(benzenesulfonyl)-1-oxopropyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(benzenesulfonyl)propanoylamino]methyl]benzoate Traditional Name: 4-[(3-besylpropanoylamino)methyl]benzoic acid methyl ester Formula: C18H19NO5S MolecularWeight: 361.41216

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CCS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CCS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H19NO5S/c1-24-18(21)15-9-7-14(8-10-15)13-19-17(20)11-12-25(22,23)16-5-3-2-4-6-16/h2-10H,11-13H2,1H3,(H,19,20)