5-[4-[3-(4-ethylphenyl)propanoyl]piperazin-1-yl]sulfonylthiophene-3-carboxylic acid

Systemtic Name: 5-[4-[3-(4-ethylphenyl)propanoyl]piperazin-1-yl]sulfonylthiophene-3-carboxylic acid Openeye Name: 5-[4-[3-(4-ethylphenyl)propanoyl]piperazin-1-yl]sulfonylthiophene-3-carboxylic acid CAS Name: 5-[[4-[3-(4-ethylphenyl)-1-oxopropyl]-1-piperazinyl]sulfonyl]-3-thiophenecarboxylic acid IUPAC Name: 5-[4-[3-(4-ethylphenyl)propanoyl]piperazin-1-yl]sulfonylthiophene-3-carboxylic acid Traditional Name: 5-[4-[3-(4-ethylphenyl)propanoyl]piperazino]sulfonyl-3-thenoic acid Formula: C20H24N2O5S2 MolecularWeight: 436.54496

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=CS3)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=CS3)C(=O)O

InChI

InChI=1S/C20H24N2O5S2/c1-2-15-3-5-16(6-4-15)7-8-18(23)21-9-11-22(12-10-21)29(26,27)19-13-17(14-28-19)20(24)25/h3-6,13-14H,2,7-12H2,1H3,(H,24,25)