[2-(1-acetamidopropyl)phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-(1-acetamidopropyl)phenyl] 4-methylbenzenesulfonate Openeye Name: [2-(1-acetamidopropyl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(1-acetamidopropyl)phenyl] ester IUPAC Name: [2-(1-acetamidopropyl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(1-acetamidopropyl)phenyl] ester Formula: C18H21NO4S MolecularWeight: 347.42864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)C)NC(=O)C

Isomeric SMILES

CCC(C1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)C)NC(=O)C

InChI

InChI=1S/C18H21NO4S/c1-4-17(19-14(3)20)16-7-5-6-8-18(16)23-24(21,22)15-11-9-13(2)10-12-15/h5-12,17H,4H2,1-3H3,(H,19,20)