methyl 4-[3-(phenylmethyl)sulfonylpropanoylamino]benzoate

Systemtic Name: methyl 4-[3-(phenylmethyl)sulfonylpropanoylamino]benzoate Openeye Name: methyl 4-(3-benzylsulfonylpropanoylamino)benzoate CAS Name: 4-[[1-oxo-3-(phenylmethyl)sulfonylpropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(3-benzylsulfonylpropanoylamino)benzoate Traditional Name: 4-(3-benzylsulfonylpropanoylamino)benzoic acid methyl ester Formula: C18H19NO5S MolecularWeight: 361.41216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CCS(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CCS(=O)(=O)CC2=CC=CC=C2

InChI

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