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

Systemtic Name: [2,6-di(propan-2-yl)-4-[(4-sulfamoylphenyl)amino]phenyl] 4-methylbenzenesulfonate Openeye Name: [2,6-diisopropyl-4-(4-sulfamoylanilino)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2,6-di(propan-2-yl)-4-(4-sulfamoylanilino)phenyl] ester IUPAC Name: [2,6-di(propan-2-yl)-4-(4-sulfamoylanilino)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2,6-diisopropyl-4-(4-sulfamoylanilino)phenyl] ester Formula: C25H30N2O5S2 MolecularWeight: 502.6461

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=CC=C(C=C3)S(=O)(=O)N)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)S(=O)(=O)N)C(C)C

InChI

InChI=1S/C25H30N2O5S2/c1-16(2)23-14-20(27-19-8-12-21(13-9-19)33(26,28)29)15-24(17(3)4)25(23)32-34(30,31)22-10-6-18(5)7-11-22/h6-17,27H,1-5H3,(H2,26,28,29)