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

Systemtic Name: [3-(2-acetamidobutyl)phenyl] 4-methylbenzenesulfonate Openeye Name: [3-(2-acetamidobutyl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-(2-acetamidobutyl)phenyl] ester IUPAC Name: [3-(2-acetamidobutyl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-(2-acetamidobutyl)phenyl] ester Formula: C19H23NO4S MolecularWeight: 361.45522

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)C)NC(=O)C

Isomeric SMILES

CCC(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)C)NC(=O)C

InChI

InChI=1S/C19H23NO4S/c1-4-17(20-15(3)21)12-16-6-5-7-18(13-16)24-25(22,23)19-10-8-14(2)9-11-19/h5-11,13,17H,4,12H2,1-3H3,(H,20,21)