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

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 5-(cyclopropylsulfamoyl)-2-methyl-benzoate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 5-(cyclopropylsulfamoyl)-2-methyl-benzoate CAS Name: 5-(cyclopropylsulfamoyl)-2-methylbenzoic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate Traditional Name: 5-(cyclopropylsulfamoyl)-2-methyl-benzoic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C22H26N2O5S2 MolecularWeight: 462.58224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2CC2)C(=O)OCC(=O)NCCCSC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2CC2)C(=O)OCC(=O)NCCCSC3=CC=CC=C3

InChI

InChI=1S/C22H26N2O5S2/c1-16-8-11-19(31(27,28)24-17-9-10-17)14-20(16)22(26)29-15-21(25)23-12-5-13-30-18-6-3-2-4-7-18/h2-4,6-8,11,14,17,24H,5,9-10,12-13,15H2,1H3,(H,23,25)