[3-(2-benzamidopropyl)phenyl] 4-methylbenzenesulfonate

Systemtic Name: [3-(2-benzamidopropyl)phenyl] 4-methylbenzenesulfonate Openeye Name: [3-(2-benzamidopropyl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-(2-benzamidopropyl)phenyl] ester IUPAC Name: [3-(2-benzamidopropyl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-(2-benzamidopropyl)phenyl] ester Formula: C23H23NO4S MolecularWeight: 409.49802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23NO4S/c1-17-11-13-22(14-12-17)29(26,27)28-21-10-6-7-19(16-21)15-18(2)24-23(25)20-8-4-3-5-9-20/h3-14,16,18H,15H2,1-2H3,(H,24,25)