cyanomethyl 3-butylsulfanyl-4-(phenoxysulfamoyl)benzoate

Systemtic Name: cyanomethyl 3-butylsulfanyl-4-(phenoxysulfamoyl)benzoate Openeye Name: cyanomethyl 3-butylsulfanyl-4-(phenoxysulfamoyl)benzoate CAS Name: 3-(butylthio)-4-(phenoxysulfamoyl)benzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 3-butylsulfanyl-4-(phenoxysulfamoyl)benzoate Traditional Name: 3-(butylthio)-4-(phenoxysulfamoyl)benzoic acid cyanomethyl ester Formula: C19H20N2O5S2 MolecularWeight: 420.5025

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C=CC(=C1)C(=O)OCC#N)S(=O)(=O)NOC2=CC=CC=C2

Isomeric SMILES

CCCCSC1=C(C=CC(=C1)C(=O)OCC#N)S(=O)(=O)NOC2=CC=CC=C2

InChI

InChI=1S/C19H20N2O5S2/c1-2-3-13-27-17-14-15(19(22)25-12-11-20)9-10-18(17)28(23,24)21-26-16-7-5-4-6-8-16/h4-10,14,21H,2-3,12-13H2,1H3