2-methyl-1-(2-phenylprop-2-enoylamino)propane-1-sulfonic acid

Systemtic Name: 2-methyl-1-(2-phenylprop-2-enoylamino)propane-1-sulfonic acid Openeye Name: 2-methyl-1-(2-phenylprop-2-enoylamino)propane-1-sulfonic acid CAS Name: 2-methyl-1-[(1-oxo-2-phenylprop-2-enyl)amino]-1-propanesulfonic acid IUPAC Name: 2-methyl-1-(2-phenylprop-2-enoylamino)propane-1-sulfonic acid Traditional Name: 1-(atropoylamino)-2-methyl-propane-1-sulfonic acid Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(NC(=O)C(=C)C1=CC=CC=C1)S(=O)(=O)O

Isomeric SMILES

CC(C)C(NC(=O)C(=C)C1=CC=CC=C1)S(=O)(=O)O

InChI

InChI=1S/C13H17NO4S/c1-9(2)13(19(16,17)18)14-12(15)10(3)11-7-5-4-6-8-11/h4-9,13H,3H2,1-2H3,(H,14,15)(H,16,17,18)