[2,6-di(propan-2-yl)-4-(pyridin-3-ylamino)phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2,6-di(propan-2-yl)-4-(pyridin-3-ylamino)phenyl] 4-methylbenzenesulfonate Openeye Name: [2,6-diisopropyl-4-(3-pyridylamino)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2,6-di(propan-2-yl)-4-(3-pyridinylamino)phenyl] ester IUPAC Name: [2,6-di(propan-2-yl)-4-(pyridin-3-ylamino)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2,6-diisopropyl-4-(3-pyridylamino)phenyl] ester Formula: C24H28N2O3S MolecularWeight: 424.55572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O3S/c1-16(2)22-13-20(26-19-7-6-12-25-15-19)14-23(17(3)4)24(22)29-30(27,28)21-10-8-18(5)9-11-21/h6-17,26H,1-5H3