2-[2-[4-(3-methylthiophen-2-yl)phenyl]propanoylamino]ethanesulfonic acid

Systemtic Name: 2-[2-[4-(3-methylthiophen-2-yl)phenyl]propanoylamino]ethanesulfonic acid Openeye Name: 2-[2-[4-(3-methyl-2-thienyl)phenyl]propanoylamino]ethanesulfonic acid CAS Name: 2-[[2-[4-(3-methyl-2-thiophenyl)phenyl]-1-oxopropyl]amino]ethanesulfonic acid IUPAC Name: 2-[2-[4-(3-methylthiophen-2-yl)phenyl]propanoylamino]ethanesulfonic acid Traditional Name: 2-[2-[4-(3-methyl-2-thienyl)phenyl]propanoylamino]ethanesulfonic acid Formula: C16H19NO4S2 MolecularWeight: 353.45636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C2=CC=C(C=C2)C(C)C(=O)NCCS(=O)(=O)O

Isomeric SMILES

CC1=C(SC=C1)C2=CC=C(C=C2)C(C)C(=O)NCCS(=O)(=O)O

InChI

InChI=1S/C16H19NO4S2/c1-11-7-9-22-15(11)14-5-3-13(4-6-14)12(2)16(18)17-8-10-23(19,20)21/h3-7,9,12H,8,10H2,1-2H3,(H,17,18)(H,19,20,21)