[4-(butylcarbamoyl)phenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [4-(butylcarbamoyl)phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-(butylcarbamoyl)phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[butylamino(oxo)methyl]phenyl] ester IUPAC Name: [4-(butylcarbamoyl)phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-(butylcarbamoyl)phenyl] ester Formula: C19H23NO4S MolecularWeight: 361.45522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC=C(C=C1)OS(=O)(=O)C2=C(C=CC(=C2)C)C

Isomeric SMILES

CCCCNC(=O)C1=CC=C(C=C1)OS(=O)(=O)C2=C(C=CC(=C2)C)C

InChI

InChI=1S/C19H23NO4S/c1-4-5-12-20-19(21)16-8-10-17(11-9-16)24-25(22,23)18-13-14(2)6-7-15(18)3/h6-11,13H,4-5,12H2,1-3H3,(H,20,21)