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

Systemtic Name: [4-[(4-iodophenyl)amino]-2,6-di(propan-2-yl)phenyl] 4-methylbenzenesulfonate Openeye Name: [4-(4-iodoanilino)-2,6-diisopropyl-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-(4-iodoanilino)-2,6-di(propan-2-yl)phenyl] ester IUPAC Name: [4-(4-iodoanilino)-2,6-di(propan-2-yl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(4-iodoanilino)-2,6-diisopropyl-phenyl] ester Formula: C25H28INO3S MolecularWeight: 549.46419

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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)I)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)I)C(C)C

InChI

InChI=1S/C25H28INO3S/c1-16(2)23-14-21(27-20-10-8-19(26)9-11-20)15-24(17(3)4)25(23)30-31(28,29)22-12-6-18(5)7-13-22/h6-17,27H,1-5H3