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

Systemtic Name: 3-[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]propanoic acid Openeye Name: 3-[4-[(2,5-dimethyl-3-thienyl)sulfonyl]piperazin-1-yl]propanoic acid CAS Name: 3-[4-[(2,5-dimethyl-3-thiophenyl)sulfonyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]propanoic acid Traditional Name: 3-[4-[(2,5-dimethyl-3-thienyl)sulfonyl]piperazino]propionic acid Formula: C13H20N2O4S2 MolecularWeight: 332.4389

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O4S2/c1-10-9-12(11(2)20-10)21(18,19)15-7-5-14(6-8-15)4-3-13(16)17/h9H,3-8H2,1-2H3,(H,16,17)