2-[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[(2,5-dimethyl-3-thienyl)sulfonyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[(2,5-dimethyl-3-thiophenyl)sulfonyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]acetic acid Traditional Name: 2-[4-[(2,5-dimethyl-3-thienyl)sulfonyl]piperazino]acetic acid Formula: C12H18N2O4S2 MolecularWeight: 318.41232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)S(=O)(=O)N2CCN(CC2)CC(=O)O

Isomeric SMILES

CC1=CC(=C(S1)C)S(=O)(=O)N2CCN(CC2)CC(=O)O

InChI

InChI=1S/C12H18N2O4S2/c1-9-7-11(10(2)19-9)20(17,18)14-5-3-13(4-6-14)8-12(15)16/h7H,3-6,8H2,1-2H3,(H,15,16)