(4-chloranyl-5-methyl-2-propan-2-yl-phenyl) 5-acetamido-2-methoxy-benzenesulfonate

Systemtic Name: (4-chloranyl-5-methyl-2-propan-2-yl-phenyl) 5-acetamido-2-methoxy-benzenesulfonate Openeye Name: (4-chloro-2-isopropyl-5-methyl-phenyl) 5-acetamido-2-methoxy-benzenesulfonate CAS Name: 5-acetamido-2-methoxybenzenesulfonic acid (4-chloro-5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (4-chloro-5-methyl-2-propan-2-ylphenyl) 5-acetamido-2-methoxybenzenesulfonate Traditional Name: 5-acetamido-2-methoxy-benzenesulfonic acid (4-chloro-2-isopropyl-5-methyl-phenyl) ester Formula: C19H22ClNO5S MolecularWeight: 411.89968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C(C)C)OS(=O)(=O)C2=C(C=CC(=C2)NC(=O)C)OC

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C(C)C)OS(=O)(=O)C2=C(C=CC(=C2)NC(=O)C)OC

InChI

InChI=1S/C19H22ClNO5S/c1-11(2)15-10-16(20)12(3)8-18(15)26-27(23,24)19-9-14(21-13(4)22)6-7-17(19)25-5/h6-11H,1-5H3,(H,21,22)