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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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