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

Systemtic Name: 5-[4-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]sulfonylthiophene-3-carboxylic acid Openeye Name: 5-[4-[2-(3-fluoroanilino)-2-oxo-ethyl]piperazin-1-yl]sulfonylthiophene-3-carboxylic acid CAS Name: 5-[[4-[2-(3-fluoroanilino)-2-oxoethyl]-1-piperazinyl]sulfonyl]-3-thiophenecarboxylic acid IUPAC Name: 5-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]sulfonylthiophene-3-carboxylic acid Traditional Name: 5-[4-[2-(3-fluoroanilino)-2-keto-ethyl]piperazino]sulfonyl-3-thenoic acid Formula: C17H18FN3O5S2 MolecularWeight: 427.470323

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)NC2=CC(=CC=C2)F)S(=O)(=O)C3=CC(=CS3)C(=O)O

Isomeric SMILES

C1CN(CCN1CC(=O)NC2=CC(=CC=C2)F)S(=O)(=O)C3=CC(=CS3)C(=O)O

InChI

InChI=1S/C17H18FN3O5S2/c18-13-2-1-3-14(9-13)19-15(22)10-20-4-6-21(7-5-20)28(25,26)16-8-12(11-27-16)17(23)24/h1-3,8-9,11H,4-7,10H2,(H,19,22)(H,23,24)