[4-(1-benzamidopropyl)phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-(1-benzamidopropyl)phenyl] 4-methylbenzenesulfonate Openeye Name: [4-(1-benzamidopropyl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-(1-benzamidopropyl)phenyl] ester IUPAC Name: [4-(1-benzamidopropyl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(1-benzamidopropyl)phenyl] ester Formula: C23H23NO4S MolecularWeight: 409.49802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)C)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCC(C1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)C)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H23NO4S/c1-3-22(24-23(25)19-7-5-4-6-8-19)18-11-13-20(14-12-18)28-29(26,27)21-15-9-17(2)10-16-21/h4-16,22H,3H2,1-2H3,(H,24,25)