methyl 3-butylsulfanyl-4-(phenoxysulfamoyl)benzoate

Systemtic Name: methyl 3-butylsulfanyl-4-(phenoxysulfamoyl)benzoate Openeye Name: methyl 3-butylsulfanyl-4-(phenoxysulfamoyl)benzoate CAS Name: 3-(butylthio)-4-(phenoxysulfamoyl)benzoic acid methyl ester IUPAC Name: methyl 3-butylsulfanyl-4-(phenoxysulfamoyl)benzoate Traditional Name: 3-(butylthio)-4-(phenoxysulfamoyl)benzoic acid methyl ester Formula: C18H21NO5S2 MolecularWeight: 395.49304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C=CC(=C1)C(=O)OC)S(=O)(=O)NOC2=CC=CC=C2

Isomeric SMILES

CCCCSC1=C(C=CC(=C1)C(=O)OC)S(=O)(=O)NOC2=CC=CC=C2

InChI

InChI=1S/C18H21NO5S2/c1-3-4-12-25-16-13-14(18(20)23-2)10-11-17(16)26(21,22)19-24-15-8-6-5-7-9-15/h5-11,13,19H,3-4,12H2,1-2H3