methyl 3-[2-(3-phenylpropylsulfonyl)ethanoylamino]benzoate

Systemtic Name: methyl 3-[2-(3-phenylpropylsulfonyl)ethanoylamino]benzoate Openeye Name: methyl 3-[[2-(3-phenylpropylsulfonyl)acetyl]amino]benzoate CAS Name: 3-[[1-oxo-2-(3-phenylpropylsulfonyl)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(3-phenylpropylsulfonyl)acetyl]amino]benzoate Traditional Name: 3-[[2-(3-phenylpropylsulfonyl)acetyl]amino]benzoic acid methyl ester Formula: C19H21NO5S MolecularWeight: 375.43874

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)CS(=O)(=O)CCCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)CS(=O)(=O)CCCC2=CC=CC=C2

InChI

InChI=1S/C19H21NO5S/c1-25-19(22)16-10-5-11-17(13-16)20-18(21)14-26(23,24)12-6-9-15-7-3-2-4-8-15/h2-5,7-8,10-11,13H,6,9,12,14H2,1H3,(H,20,21)