(4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-chloranyl-5-[(4-fluorophenyl)-methyl-sulfamoyl]benzoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-chloranyl-5-[(4-fluorophenyl)-methyl-sulfamoyl]benzoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-chloro-5-[(4-fluorophenyl)-methyl-sulfamoyl]benzoate CAS Name: 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoate Traditional Name: 2-chloro-5-[(4-fluorophenyl)-methyl-sulfamoyl]benzoic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C27H29ClFNO4S MolecularWeight: 518.039863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C3=CC=C(C=C3)F)Cl)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C3=CC=C(C=C3)F)Cl)C)C(C)(C)C

InChI

InChI=1S/C27H29ClFNO4S/c1-17-13-19(27(3,4)5)14-18(2)24(17)16-34-26(31)23-15-22(11-12-25(23)28)35(32,33)30(6)21-9-7-20(29)8-10-21/h7-15H,16H2,1-6H3