2-[5-(azocan-1-ylsulfonyl)thiophen-2-yl]ethanoic acid

Systemtic Name: 2-[5-(azocan-1-ylsulfonyl)thiophen-2-yl]ethanoic acid Openeye Name: 2-[5-(azocan-1-ylsulfonyl)-2-thienyl]acetic acid CAS Name: 2-[5-(1-azocanylsulfonyl)-2-thiophenyl]acetic acid IUPAC Name: 2-[5-(azocan-1-ylsulfonyl)thiophen-2-yl]acetic acid Traditional Name: 2-[5-(azocan-1-ylsulfonyl)-2-thienyl]acetic acid Formula: C13H19NO4S2 MolecularWeight: 317.42426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)S(=O)(=O)C2=CC=C(S2)CC(=O)O

Isomeric SMILES

C1CCCN(CCC1)S(=O)(=O)C2=CC=C(S2)CC(=O)O

InChI

InChI=1S/C13H19NO4S2/c15-12(16)10-11-6-7-13(19-11)20(17,18)14-8-4-2-1-3-5-9-14/h6-7H,1-5,8-10H2,(H,15,16)