2-methyl-1-[2-(phenylmethyl)prop-2-enoylamino]propane-1-sulfonic acid

Systemtic Name: 2-methyl-1-[2-(phenylmethyl)prop-2-enoylamino]propane-1-sulfonic acid Openeye Name: 1-(2-benzylprop-2-enoylamino)-2-methyl-propane-1-sulfonic acid CAS Name: 2-methyl-1-[[1-oxo-2-(phenylmethyl)prop-2-enyl]amino]-1-propanesulfonic acid IUPAC Name: 1-(2-benzylprop-2-enoylamino)-2-methylpropane-1-sulfonic acid Traditional Name: 1-[(2-benzylacryloyl)amino]-2-methyl-propane-1-sulfonic acid Formula: C14H19NO4S MolecularWeight: 297.36996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(NC(=O)C(=C)CC1=CC=CC=C1)S(=O)(=O)O

Isomeric SMILES

CC(C)C(NC(=O)C(=C)CC1=CC=CC=C1)S(=O)(=O)O

InChI

InChI=1S/C14H19NO4S/c1-10(2)14(20(17,18)19)15-13(16)11(3)9-12-7-5-4-6-8-12/h4-8,10,14H,3,9H2,1-2H3,(H,15,16)(H,17,18,19)