methyl 2-[[1-methoxy-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]sulfamoyl]benzoate

Systemtic Name: methyl 2-[[1-methoxy-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]sulfamoyl]benzoate Openeye Name: methyl 2-[[1-(benzylsulfanylmethyl)-2-methoxy-2-oxo-ethyl]sulfamoyl]benzoate CAS Name: 2-[[1-methoxy-1-oxo-3-(phenylmethylthio)propan-2-yl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(3-benzylsulfanyl-1-methoxy-1-oxopropan-2-yl)sulfamoyl]benzoate Traditional Name: 2-[[1-[(benzylthio)methyl]-2-keto-2-methoxy-ethyl]sulfamoyl]benzoic acid methyl ester Formula: C19H21NO6S2 MolecularWeight: 423.50314

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)NC(CSCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)NC(CSCC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C19H21NO6S2/c1-25-18(21)15-10-6-7-11-17(15)28(23,24)20-16(19(22)26-2)13-27-12-14-8-4-3-5-9-14/h3-11,16,20H,12-13H2,1-2H3