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

Systemtic Name: 2-methyl-3-oxidanylidene-3-(phenethylamino)propane-1-sulfinic acid; 2-phenylethanamine Openeye Name: 2-methyl-3-oxo-3-(phenethylamino)propane-1-sulfinic acid; 2-phenylethanamine CAS Name: 2-methyl-3-oxo-3-(phenethylamino)-1-propanesulfinic acid; 2-phenylethanamine IUPAC Name: 2-methyl-3-oxo-3-(phenethylamino)propane-1-sulfinic acid; 2-phenylethanamine Traditional Name: 3-keto-2-methyl-3-(phenethylamino)propane-1-sulfinic acid; phenethylamine Formula: C20H28N2O3S MolecularWeight: 376.51292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO3S.C8H11N/c1-10(9-17(15)16)12(14)13-8-7-11-5-3-2-4-6-11;9-7-6-8-4-2-1-3-5-8/h2-6,10H,7-9H2,1H3,(H,13,14)(H,15,16);1-5H,6-7,9H2