[4-(3-oxidanylidenebutyl)phenyl] 3-acetamido-4-methoxy-benzenesulfonate

Systemtic Name: [4-(3-oxidanylidenebutyl)phenyl] 3-acetamido-4-methoxy-benzenesulfonate Openeye Name: [4-(3-oxobutyl)phenyl] 3-acetamido-4-methoxy-benzenesulfonate CAS Name: 3-acetamido-4-methoxybenzenesulfonic acid [4-(3-oxobutyl)phenyl] ester IUPAC Name: [4-(3-oxobutyl)phenyl] 3-acetamido-4-methoxybenzenesulfonate Traditional Name: 3-acetamido-4-methoxy-benzenesulfonic acid [4-(3-ketobutyl)phenyl] ester Formula: C19H21NO6S MolecularWeight: 391.43814

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC=C(C=C1)OS(=O)(=O)C2=CC(=C(C=C2)OC)NC(=O)C

Isomeric SMILES

CC(=O)CCC1=CC=C(C=C1)OS(=O)(=O)C2=CC(=C(C=C2)OC)NC(=O)C

InChI

InChI=1S/C19H21NO6S/c1-13(21)4-5-15-6-8-16(9-7-15)26-27(23,24)17-10-11-19(25-3)18(12-17)20-14(2)22/h6-12H,4-5H2,1-3H3,(H,20,22)