(propanoylamino) 4-methylbenzenesulfonate

Systemtic Name: (propanoylamino) 4-methylbenzenesulfonate Openeye Name: (propanoylamino) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1-oxopropylamino) ester IUPAC Name: (propanoylamino) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid propionamido ester Formula: C10H13NO4S MolecularWeight: 243.27952

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NOS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCC(=O)NOS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C10H13NO4S/c1-3-10(12)11-15-16(13,14)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H,11,12)