2-[2-[5-(phenylcarbonyl)thiophen-2-yl]propanoylamino]ethanesulfonic acid

Systemtic Name: 2-[2-[5-(phenylcarbonyl)thiophen-2-yl]propanoylamino]ethanesulfonic acid Openeye Name: 2-[2-(5-benzoyl-2-thienyl)propanoylamino]ethanesulfonic acid CAS Name: 2-[[2-(5-benzoyl-2-thiophenyl)-1-oxopropyl]amino]ethanesulfonic acid IUPAC Name: 2-[2-(5-benzoylthiophen-2-yl)propanoylamino]ethanesulfonic acid Traditional Name: 2-[2-(5-benzoyl-2-thienyl)propanoylamino]ethanesulfonic acid Formula: C16H17NO5S2 MolecularWeight: 367.43988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(S1)C(=O)C2=CC=CC=C2)C(=O)NCCS(=O)(=O)O

Isomeric SMILES

CC(C1=CC=C(S1)C(=O)C2=CC=CC=C2)C(=O)NCCS(=O)(=O)O

InChI

InChI=1S/C16H17NO5S2/c1-11(16(19)17-9-10-24(20,21)22)13-7-8-14(23-13)15(18)12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,17,19)(H,20,21,22)