(2,3,6-trimethylphenyl) 3-[phenyl(prop-2-enyl)sulfamoyl]benzoate

Systemtic Name: (2,3,6-trimethylphenyl) 3-[phenyl(prop-2-enyl)sulfamoyl]benzoate Openeye Name: (2,3,6-trimethylphenyl) 3-[allyl(phenyl)sulfamoyl]benzoate CAS Name: 3-[phenyl(prop-2-enyl)sulfamoyl]benzoic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 3-[phenyl(prop-2-enyl)sulfamoyl]benzoate Traditional Name: 3-[allyl(phenyl)sulfamoyl]benzoic acid (2,3,6-trimethylphenyl) ester Formula: C25H25NO4S MolecularWeight: 435.5353

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25NO4S/c1-5-16-26(22-11-7-6-8-12-22)31(28,29)23-13-9-10-21(17-23)25(27)30-24-19(3)15-14-18(2)20(24)4/h5-15,17H,1,16H2,2-4H3