5-[4-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]sulfonylthiophene-3-carboxylic acid

Systemtic Name: 5-[4-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]sulfonylthiophene-3-carboxylic acid Openeye Name: 5-[4-[2-(2-ethylanilino)-2-oxo-ethyl]piperazin-1-yl]sulfonylthiophene-3-carboxylic acid CAS Name: 5-[[4-[2-(2-ethylanilino)-2-oxoethyl]-1-piperazinyl]sulfonyl]-3-thiophenecarboxylic acid IUPAC Name: 5-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]sulfonylthiophene-3-carboxylic acid Traditional Name: 5-[4-[2-(2-ethylanilino)-2-keto-ethyl]piperazino]sulfonyl-3-thenoic acid Formula: C19H23N3O5S2 MolecularWeight: 437.53302

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC(=CS3)C(=O)O

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC(=CS3)C(=O)O

InChI

InChI=1S/C19H23N3O5S2/c1-2-14-5-3-4-6-16(14)20-17(23)12-21-7-9-22(10-8-21)29(26,27)18-11-15(13-28-18)19(24)25/h3-6,11,13H,2,7-10,12H2,1H3,(H,20,23)(H,24,25)