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

Systemtic Name: [3-(2-acetamidopropyl)phenyl] 4-methylbenzenesulfonate Openeye Name: [3-(2-acetamidopropyl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-(2-acetamidopropyl)phenyl] ester IUPAC Name: [3-(2-acetamidopropyl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-(2-acetamidopropyl)phenyl] ester Formula: C18H21NO4S MolecularWeight: 347.42864

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO4S/c1-13-7-9-18(10-8-13)24(21,22)23-17-6-4-5-16(12-17)11-14(2)19-15(3)20/h4-10,12,14H,11H2,1-3H3,(H,19,20)