[4-[(3,4-dichlorophenyl)amino]-2,6-di(propan-2-yl)phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[(3,4-dichlorophenyl)amino]-2,6-di(propan-2-yl)phenyl] 4-methylbenzenesulfonate Openeye Name: [4-(3,4-dichloroanilino)-2,6-diisopropyl-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-(3,4-dichloroanilino)-2,6-di(propan-2-yl)phenyl] ester IUPAC Name: [4-(3,4-dichloroanilino)-2,6-di(propan-2-yl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(3,4-dichloroanilino)-2,6-diisopropyl-phenyl] ester Formula: C25H27Cl2NO3S MolecularWeight: 492.45778

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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)Cl)Cl)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)Cl)Cl)C(C)C

InChI

InChI=1S/C25H27Cl2NO3S/c1-15(2)21-12-19(28-18-8-11-23(26)24(27)14-18)13-22(16(3)4)25(21)31-32(29,30)20-9-6-17(5)7-10-20/h6-16,28H,1-5H3