2-[2-[4-(2-methylprop-2-enylamino)phenyl]propanoylamino]ethanesulfonic acid

Systemtic Name: 2-[2-[4-(2-methylprop-2-enylamino)phenyl]propanoylamino]ethanesulfonic acid Openeye Name: 2-[2-[4-(2-methylallylamino)phenyl]propanoylamino]ethanesulfonic acid CAS Name: 2-[[2-[4-(2-methylprop-2-enylamino)phenyl]-1-oxopropyl]amino]ethanesulfonic acid IUPAC Name: 2-[2-[4-(2-methylprop-2-enylamino)phenyl]propanoylamino]ethanesulfonic acid Traditional Name: 2-[2-[4-(2-methylallylamino)phenyl]propanoylamino]ethanesulfonic acid Formula: C15H22N2O4S MolecularWeight: 326.41118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)NCC(=C)C)C(=O)NCCS(=O)(=O)O

Isomeric SMILES

CC(C1=CC=C(C=C1)NCC(=C)C)C(=O)NCCS(=O)(=O)O

InChI

InChI=1S/C15H22N2O4S/c1-11(2)10-17-14-6-4-13(5-7-14)12(3)15(18)16-8-9-22(19,20)21/h4-7,12,17H,1,8-10H2,2-3H3,(H,16,18)(H,19,20,21)