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

Systemtic Name: [2-(1-benzamidopropyl)phenyl] 4-methylbenzenesulfonate Openeye Name: [2-(1-benzamidopropyl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(1-benzamidopropyl)phenyl] ester IUPAC Name: [2-(1-benzamidopropyl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(1-benzamidopropyl)phenyl] ester Formula: C23H23NO4S MolecularWeight: 409.49802

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)C)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCC(C1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)C)NC(=O)C3=CC=CC=C3

InChI

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