3-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]propanoic acid Openeye Name: 3-[4-[(5-methyl-2-thienyl)sulfonyl]piperazin-1-yl]propanoic acid CAS Name: 3-[4-[(5-methyl-2-thiophenyl)sulfonyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]propanoic acid Traditional Name: 3-[4-[(5-methyl-2-thienyl)sulfonyl]piperazino]propionic acid Formula: C12H18N2O4S2 MolecularWeight: 318.41232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O4S2/c1-10-2-3-12(19-10)20(17,18)14-8-6-13(7-9-14)5-4-11(15)16/h2-3H,4-9H2,1H3,(H,15,16)