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

Systemtic Name: [4-[(4-acetamidophenyl)amino]-2,6-di(propan-2-yl)phenyl] 4-methylbenzenesulfonate Openeye Name: [4-(4-acetamidoanilino)-2,6-diisopropyl-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-(4-acetamidoanilino)-2,6-di(propan-2-yl)phenyl] ester IUPAC Name: [4-(4-acetamidoanilino)-2,6-di(propan-2-yl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(4-acetamidoanilino)-2,6-diisopropyl-phenyl] ester Formula: C27H32N2O4S MolecularWeight: 480.61898

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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=CC=C(C=C3)NC(=O)C)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H32N2O4S/c1-17(2)25-15-23(29-22-11-9-21(10-12-22)28-20(6)30)16-26(18(3)4)27(25)33-34(31,32)24-13-7-19(5)8-14-24/h7-18,29H,1-6H3,(H,28,30)