methyl 5-[4-[3-[(2-fluorophenyl)methoxy]-2-oxidanyl-propyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate

Systemtic Name: methyl 5-[4-[3-[(2-fluorophenyl)methoxy]-2-oxidanyl-propyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate Openeye Name: methyl 5-[4-[3-[(2-fluorophenyl)methoxy]-2-hydroxy-propyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate CAS Name: 5-[[4-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-1-piperazinyl]sulfonyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[4-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate Traditional Name: 5-[4-[3-(2-fluorobenzyl)oxy-2-hydroxy-propyl]piperazino]sulfonylthiophene-3-carboxylic acid methyl ester Formula: C20H25FN2O6S2 MolecularWeight: 472.550703

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CSC(=C1)S(=O)(=O)N2CCN(CC2)CC(COCC3=CC=CC=C3F)O

Isomeric SMILES

COC(=O)C1=CSC(=C1)S(=O)(=O)N2CCN(CC2)CC(COCC3=CC=CC=C3F)O

InChI

InChI=1S/C20H25FN2O6S2/c1-28-20(25)16-10-19(30-14-16)31(26,27)23-8-6-22(7-9-23)11-17(24)13-29-12-15-4-2-3-5-18(15)21/h2-5,10,14,17,24H,6-9,11-13H2,1H3