S-[2-[(4-sulfamoylphenyl)methylcarbamoyl]phenyl] 2,6-bis(fluoranyl)benzenecarbothioate

Systemtic Name: S-[2-[(4-sulfamoylphenyl)methylcarbamoyl]phenyl] 2,6-bis(fluoranyl)benzenecarbothioate Openeye Name: S-[2-[(4-sulfamoylphenyl)methylcarbamoyl]phenyl] 2,6-difluorobenzenecarbothioate CAS Name: 2,6-difluorobenzenecarbothioic acid S-[2-[oxo-[(4-sulfamoylphenyl)methylamino]methyl]phenyl] ester IUPAC Name: S-[2-[(4-sulfamoylphenyl)methylcarbamoyl]phenyl] 2,6-difluorobenzenecarbothioate Traditional Name: 2,6-difluorothiobenzoic acid S-[2-[(4-sulfamoylbenzyl)carbamoyl]phenyl] ester Formula: C21H16F2N2O4S2 MolecularWeight: 462.489546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N)SC(=O)C3=C(C=CC=C3F)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N)SC(=O)C3=C(C=CC=C3F)F

InChI

InChI=1S/C21H16F2N2O4S2/c22-16-5-3-6-17(23)19(16)21(27)30-18-7-2-1-4-15(18)20(26)25-12-13-8-10-14(11-9-13)31(24,28)29/h1-11H,12H2,(H,25,26)(H2,24,28,29)