2-methyl-3-oxidanylidene-3-(phenethylamino)propane-1-sulfinic acid

Systemtic Name: 2-methyl-3-oxidanylidene-3-(phenethylamino)propane-1-sulfinic acid Openeye Name: 2-methyl-3-oxo-3-(phenethylamino)propane-1-sulfinic acid CAS Name: 2-methyl-3-oxo-3-(phenethylamino)-1-propanesulfinic acid IUPAC Name: 2-methyl-3-oxo-3-(phenethylamino)propane-1-sulfinic acid Traditional Name: 3-keto-2-methyl-3-(phenethylamino)propane-1-sulfinic acid Formula: C12H17NO3S MolecularWeight: 255.33328

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS(=O)O)C(=O)NCCC1=CC=CC=C1

Isomeric SMILES

CC(CS(=O)O)C(=O)NCCC1=CC=CC=C1

InChI

InChI=1S/C12H17NO3S/c1-10(9-17(15)16)12(14)13-8-7-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,13,14)(H,15,16)