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

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-chloranyl-5-[methyl-(phenylmethyl)sulfamoyl]benzoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 5-[benzyl(methyl)sulfamoyl]-2-chloro-benzoate CAS Name: 2-chloro-5-[methyl-(phenylmethyl)sulfamoyl]benzoic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 5-[benzyl(methyl)sulfamoyl]-2-chlorobenzoate Traditional Name: 5-[benzyl(methyl)sulfamoyl]-2-chloro-benzoic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C28H32ClNO4S MolecularWeight: 514.07598

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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)CC3=CC=CC=C3)Cl)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)CC3=CC=CC=C3)Cl)C)C(C)(C)C

InChI

InChI=1S/C28H32ClNO4S/c1-19-14-22(28(3,4)5)15-20(2)25(19)18-34-27(31)24-16-23(12-13-26(24)29)35(32,33)30(6)17-21-10-8-7-9-11-21/h7-16H,17-18H2,1-6H3