(2-phenyl-1,3-thiazol-4-yl)methyl 3,5-bis[(4-fluorophenyl)sulfonylamino]benzoate

Systemtic Name: (2-phenyl-1,3-thiazol-4-yl)methyl 3,5-bis[(4-fluorophenyl)sulfonylamino]benzoate Openeye Name: (2-phenylthiazol-4-yl)methyl 3,5-bis[(4-fluorophenyl)sulfonylamino]benzoate CAS Name: 3,5-bis[(4-fluorophenyl)sulfonylamino]benzoic acid (2-phenyl-4-thiazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-thiazol-4-yl)methyl 3,5-bis[(4-fluorophenyl)sulfonylamino]benzoate Traditional Name: 3,5-bis[(4-fluorophenyl)sulfonylamino]benzoic acid (2-phenylthiazol-4-yl)methyl ester Formula: C29H21F2N3O6S3 MolecularWeight: 641.685346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C3=CC(=CC(=C3)NS(=O)(=O)C4=CC=C(C=C4)F)NS(=O)(=O)C5=CC=C(C=C5)F

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C3=CC(=CC(=C3)NS(=O)(=O)C4=CC=C(C=C4)F)NS(=O)(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C29H21F2N3O6S3/c30-21-6-10-26(11-7-21)42(36,37)33-23-14-20(15-24(16-23)34-43(38,39)27-12-8-22(31)9-13-27)29(35)40-17-25-18-41-28(32-25)19-4-2-1-3-5-19/h1-16,18,33-34H,17H2