5-(4-ethylpiperazin-1-yl)sulfonyl-3-methyl-thiophene-2-carboxylic acid

Systemtic Name: 5-(4-ethylpiperazin-1-yl)sulfonyl-3-methyl-thiophene-2-carboxylic acid Openeye Name: 5-(4-ethylpiperazin-1-yl)sulfonyl-3-methyl-thiophene-2-carboxylic acid CAS Name: 5-[(4-ethyl-1-piperazinyl)sulfonyl]-3-methyl-2-thiophenecarboxylic acid IUPAC Name: 5-(4-ethylpiperazin-1-yl)sulfonyl-3-methylthiophene-2-carboxylic acid Traditional Name: 5-(4-ethylpiperazino)sulfonyl-3-methyl-2-thenoic acid Formula: C12H18N2O4S2 MolecularWeight: 318.41232

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)S(=O)(=O)C2=CC(=C(S2)C(=O)O)C

Isomeric SMILES

CCN1CCN(CC1)S(=O)(=O)C2=CC(=C(S2)C(=O)O)C

InChI

InChI=1S/C12H18N2O4S2/c1-3-13-4-6-14(7-5-13)20(17,18)10-8-9(2)11(19-10)12(15)16/h8H,3-7H2,1-2H3,(H,15,16)