methyl 3-[[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl]-phenyl-sulfamoyl]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl]-phenyl-sulfamoyl]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl]-phenyl-sulfamoyl]thiophene-2-carboxylate CAS Name: 3-[[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-phenylsulfamoyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-phenylsulfamoyl]thiophene-2-carboxylate Traditional Name: 3-[[2-[(4-fluorobenzyl)amino]-2-keto-ethyl]-phenyl-sulfamoyl]thiophene-2-carboxylic acid methyl ester Formula: C21H19FN2O5S2 MolecularWeight: 462.514363

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)S(=O)(=O)N(CC(=O)NCC2=CC=C(C=C2)F)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(C=CS1)S(=O)(=O)N(CC(=O)NCC2=CC=C(C=C2)F)C3=CC=CC=C3

InChI

InChI=1S/C21H19FN2O5S2/c1-29-21(26)20-18(11-12-30-20)31(27,28)24(17-5-3-2-4-6-17)14-19(25)23-13-15-7-9-16(22)10-8-15/h2-12H,13-14H2,1H3,(H,23,25)