[4-[(3,4,5-trimethoxyphenyl)carbonylamino]phenyl] 4-chloranyl-2-methyl-benzenesulfonate

Systemtic Name: [4-[(3,4,5-trimethoxyphenyl)carbonylamino]phenyl] 4-chloranyl-2-methyl-benzenesulfonate Openeye Name: [4-[(3,4,5-trimethoxybenzoyl)amino]phenyl] 4-chloro-2-methyl-benzenesulfonate CAS Name: 4-chloro-2-methylbenzenesulfonic acid [4-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]phenyl] ester IUPAC Name: [4-[(3,4,5-trimethoxybenzoyl)amino]phenyl] 4-chloro-2-methylbenzenesulfonate Traditional Name: 4-chloro-2-methyl-benzenesulfonic acid [4-[(3,4,5-trimethoxybenzoyl)amino]phenyl] ester Formula: C23H22ClNO7S MolecularWeight: 491.94128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)S(=O)(=O)OC2=CC=C(C=C2)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)S(=O)(=O)OC2=CC=C(C=C2)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C23H22ClNO7S/c1-14-11-16(24)5-10-21(14)33(27,28)32-18-8-6-17(7-9-18)25-23(26)15-12-19(29-2)22(31-4)20(13-15)30-3/h5-13H,1-4H3,(H,25,26)