2-methyl-3-oxidanylidene-3-[(phenylmethyl)amino]propane-1-sulfinic acid

Systemtic Name: 2-methyl-3-oxidanylidene-3-[(phenylmethyl)amino]propane-1-sulfinic acid Openeye Name: 3-(benzylamino)-2-methyl-3-oxo-propane-1-sulfinic acid CAS Name: 2-methyl-3-oxo-3-[(phenylmethyl)amino]-1-propanesulfinic acid IUPAC Name: 3-(benzylamino)-2-methyl-3-oxopropane-1-sulfinic acid Traditional Name: 3-(benzylamino)-3-keto-2-methyl-propane-1-sulfinic acid Formula: C11H15NO3S MolecularWeight: 241.3067

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS(=O)O)C(=O)NCC1=CC=CC=C1

Isomeric SMILES

CC(CS(=O)O)C(=O)NCC1=CC=CC=C1

InChI

InChI=1S/C11H15NO3S/c1-9(8-16(14)15)11(13)12-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,12,13)(H,14,15)