[1-oxidanylidene-1-[[4-(propan-2-ylsulfamoyl)phenyl]amino]propan-2-yl] 3-phenylsulfanylpropanoate

Systemtic Name: [1-oxidanylidene-1-[[4-(propan-2-ylsulfamoyl)phenyl]amino]propan-2-yl] 3-phenylsulfanylpropanoate Openeye Name: [2-[4-(isopropylsulfamoyl)anilino]-1-methyl-2-oxo-ethyl] 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid [1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] ester IUPAC Name: [1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid [2-[4-(isopropylsulfamoyl)anilino]-2-keto-1-methyl-ethyl] ester Formula: C21H26N2O5S2 MolecularWeight: 450.57154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C(C)OC(=O)CCSC2=CC=CC=C2

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C(C)OC(=O)CCSC2=CC=CC=C2

InChI

InChI=1S/C21H26N2O5S2/c1-15(2)23-30(26,27)19-11-9-17(10-12-19)22-21(25)16(3)28-20(24)13-14-29-18-7-5-4-6-8-18/h4-12,15-16,23H,13-14H2,1-3H3,(H,22,25)