[4-[(4-methoxy-2-methyl-phenyl)amino]-2,6-di(propan-2-yl)phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[(4-methoxy-2-methyl-phenyl)amino]-2,6-di(propan-2-yl)phenyl] 4-methylbenzenesulfonate Openeye Name: [2,6-diisopropyl-4-(4-methoxy-2-methyl-anilino)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-(4-methoxy-2-methylanilino)-2,6-di(propan-2-yl)phenyl] ester IUPAC Name: [4-(4-methoxy-2-methylanilino)-2,6-di(propan-2-yl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2,6-diisopropyl-4-(4-methoxy-2-methyl-anilino)phenyl] ester Formula: C27H33NO4S MolecularWeight: 467.62022

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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=C(C=C3)OC)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=C(C=C3)OC)C)C(C)C

InChI

InChI=1S/C27H33NO4S/c1-17(2)24-15-21(28-26-13-10-22(31-7)14-20(26)6)16-25(18(3)4)27(24)32-33(29,30)23-11-8-19(5)9-12-23/h8-18,28H,1-7H3