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

Systemtic Name: 3-methyl-5-(4-propylpiperazin-1-yl)sulfonyl-thiophene-2-carboxylic acid Openeye Name: 3-methyl-5-(4-propylpiperazin-1-yl)sulfonyl-thiophene-2-carboxylic acid CAS Name: 3-methyl-5-[(4-propyl-1-piperazinyl)sulfonyl]-2-thiophenecarboxylic acid IUPAC Name: 3-methyl-5-(4-propylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid Traditional Name: 3-methyl-5-(4-propylpiperazino)sulfonyl-2-thenoic acid Formula: C13H20N2O4S2 MolecularWeight: 332.4389

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)S(=O)(=O)C2=CC(=C(S2)C(=O)O)C

Isomeric SMILES

CCCN1CCN(CC1)S(=O)(=O)C2=CC(=C(S2)C(=O)O)C

InChI

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