[4-[(2,5-dimethylphenyl)amino]-2,6-di(propan-2-yl)phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[(2,5-dimethylphenyl)amino]-2,6-di(propan-2-yl)phenyl] 4-methylbenzenesulfonate Openeye Name: [4-(2,5-dimethylanilino)-2,6-diisopropyl-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-(2,5-dimethylanilino)-2,6-di(propan-2-yl)phenyl] ester IUPAC Name: [4-(2,5-dimethylanilino)-2,6-di(propan-2-yl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(2,5-dimethylanilino)-2,6-diisopropyl-phenyl] ester Formula: C27H33NO3S MolecularWeight: 451.62082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2C(C)C)NC3=C(C=CC(=C3)C)C)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2C(C)C)NC3=C(C=CC(=C3)C)C)C(C)C

InChI

InChI=1S/C27H33NO3S/c1-17(2)24-15-22(28-26-14-20(6)8-11-21(26)7)16-25(18(3)4)27(24)31-32(29,30)23-12-9-19(5)10-13-23/h8-18,28H,1-7H3