(4-tert-butyl-2,6-dimethyl-phenyl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 4-(2-furylmethylsulfamoyl)benzoate CAS Name: 4-(2-furanylmethylsulfamoyl)benzoic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate Traditional Name: 4-(2-furfurylsulfamoyl)benzoic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C25H29NO5S MolecularWeight: 455.56646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3)C)C(C)(C)C

InChI

InChI=1S/C25H29NO5S/c1-17-13-20(25(3,4)5)14-18(2)23(17)16-31-24(27)19-8-10-22(11-9-19)32(28,29)26-15-21-7-6-12-30-21/h6-14,26H,15-16H2,1-5H3