[4-(4-fluorophenyl)-4-oxidanylidene-butyl] 2-methoxy-5-sulfamoyl-benzoate

Systemtic Name: [4-(4-fluorophenyl)-4-oxidanylidene-butyl] 2-methoxy-5-sulfamoyl-benzoate Openeye Name: [4-(4-fluorophenyl)-4-oxo-butyl] 2-methoxy-5-sulfamoyl-benzoate CAS Name: 2-methoxy-5-sulfamoylbenzoic acid [4-(4-fluorophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-fluorophenyl)-4-oxobutyl] 2-methoxy-5-sulfamoylbenzoate Traditional Name: 2-methoxy-5-sulfamoyl-benzoic acid [4-(4-fluorophenyl)-4-keto-butyl] ester Formula: C18H18FNO6S MolecularWeight: 395.402023

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)OCCCC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)OCCCC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C18H18FNO6S/c1-25-17-9-8-14(27(20,23)24)11-15(17)18(22)26-10-2-3-16(21)12-4-6-13(19)7-5-12/h4-9,11H,2-3,10H2,1H3,(H2,20,23,24)