[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 5-(diethylsulfamoyl)-2-methyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 5-(diethylsulfamoyl)-2-methyl-benzoate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 5-(diethylsulfamoyl)-2-methyl-benzoate CAS Name: 5-(diethylsulfamoyl)-2-methylbenzoic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 5-(diethylsulfamoyl)-2-methylbenzoate Traditional Name: 5-(diethylsulfamoyl)-2-methyl-benzoic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C23H30N2O5S2 MolecularWeight: 478.6247

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)C(=O)OCC(=O)NCCCSC2=CC=CC=C2

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)C(=O)OCC(=O)NCCCSC2=CC=CC=C2

InChI

InChI=1S/C23H30N2O5S2/c1-4-25(5-2)32(28,29)20-13-12-18(3)21(16-20)23(27)30-17-22(26)24-14-9-15-31-19-10-7-6-8-11-19/h6-8,10-13,16H,4-5,9,14-15,17H2,1-3H3,(H,24,26)