[1-[[2-chloranyl-5-(diethylsulfamoyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 3-phenylsulfanylpropanoate

Systemtic Name: [1-[[2-chloranyl-5-(diethylsulfamoyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 3-phenylsulfanylpropanoate Openeye Name: [2-[2-chloro-5-(diethylsulfamoyl)anilino]-1-methyl-2-oxo-ethyl] 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid [1-[2-chloro-5-(diethylsulfamoyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[2-chloro-5-(diethylsulfamoyl)anilino]-1-oxopropan-2-yl] 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid [2-[2-chloro-5-(diethylsulfamoyl)anilino]-2-keto-1-methyl-ethyl] ester Formula: C22H27ClN2O5S2 MolecularWeight: 499.04318

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)OC(=O)CCSC2=CC=CC=C2

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)OC(=O)CCSC2=CC=CC=C2

InChI

InChI=1S/C22H27ClN2O5S2/c1-4-25(5-2)32(28,29)18-11-12-19(23)20(15-18)24-22(27)16(3)30-21(26)13-14-31-17-9-7-6-8-10-17/h6-12,15-16H,4-5,13-14H2,1-3H3,(H,24,27)