(3-methyl-5-propan-2-yl-phenyl) 3-[prop-2-enyl-[3-(trifluoromethyl)phenyl]sulfamoyl]benzoate

Systemtic Name: (3-methyl-5-propan-2-yl-phenyl) 3-[prop-2-enyl-[3-(trifluoromethyl)phenyl]sulfamoyl]benzoate Openeye Name: (3-isopropyl-5-methyl-phenyl) 3-[allyl-[3-(trifluoromethyl)phenyl]sulfamoyl]benzoate CAS Name: 3-[prop-2-enyl-[3-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid (3-methyl-5-propan-2-ylphenyl) ester IUPAC Name: (3-methyl-5-propan-2-ylphenyl) 3-[prop-2-enyl-[3-(trifluoromethyl)phenyl]sulfamoyl]benzoate Traditional Name: 3-[allyl-[3-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid (3-isopropyl-5-methyl-phenyl) ester Formula: C27H26F3NO4S MolecularWeight: 517.55985

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N(CC=C)C3=CC=CC(=C3)C(F)(F)F)C(C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N(CC=C)C3=CC=CC(=C3)C(F)(F)F)C(C)C

InChI

InChI=1S/C27H26F3NO4S/c1-5-12-31(23-10-7-9-22(17-23)27(28,29)30)36(33,34)25-11-6-8-20(16-25)26(32)35-24-14-19(4)13-21(15-24)18(2)3/h5-11,13-18H,1,12H2,2-4H3