(4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-[(phenylmethyl)sulfamoyl]benzoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-[(phenylmethyl)sulfamoyl]benzoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-(benzylsulfamoyl)benzoate CAS Name: 3-[(phenylmethyl)sulfamoyl]benzoic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 3-(benzylsulfamoyl)benzoate Traditional Name: 3-(benzylsulfamoyl)benzoic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C27H31NO4S MolecularWeight: 465.60434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CC=C3)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CC=C3)C)C(C)(C)C

InChI

InChI=1S/C27H31NO4S/c1-19-14-23(27(3,4)5)15-20(2)25(19)18-32-26(29)22-12-9-13-24(16-22)33(30,31)28-17-21-10-7-6-8-11-21/h6-16,28H,17-18H2,1-5H3