(3-methylpentanoylamino) benzenesulfinate

Systemtic Name: (3-methylpentanoylamino) benzenesulfinate Openeye Name: (3-methylpentanoylamino) benzenesulfinate CAS Name: benzenesulfinic acid [(3-methyl-1-oxopentyl)amino] ester IUPAC Name: (3-methylpentanoylamino) benzenesulfinate Traditional Name: benzenesulfinic acid (3-methylpentanoylamino) ester Formula: C12H17NO3S MolecularWeight: 255.33328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO3S/c1-3-10(2)9-12(14)13-16-17(15)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,13,14)