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

Systemtic Name: [4-[(4-ethoxyphenyl)amino]-2,6-di(propan-2-yl)phenyl] 4-methylbenzenesulfonate Openeye Name: [4-(4-ethoxyanilino)-2,6-diisopropyl-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-(4-ethoxyanilino)-2,6-di(propan-2-yl)phenyl] ester IUPAC Name: [4-(4-ethoxyanilino)-2,6-di(propan-2-yl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2,6-diisopropyl-4-(p-phenetidino)phenyl] ester Formula: C27H33NO4S MolecularWeight: 467.62022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=CC(=C(C(=C2)C(C)C)OS(=O)(=O)C3=CC=C(C=C3)C)C(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=CC(=C(C(=C2)C(C)C)OS(=O)(=O)C3=CC=C(C=C3)C)C(C)C

InChI

InChI=1S/C27H33NO4S/c1-7-31-23-12-10-21(11-13-23)28-22-16-25(18(2)3)27(26(17-22)19(4)5)32-33(29,30)24-14-8-20(6)9-15-24/h8-19,28H,7H2,1-6H3