methyl 5-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate

Systemtic Name: methyl 5-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate Openeye Name: methyl 5-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate CAS Name: 5-[[4-[(E)-3-(3-fluorophenyl)-1-oxoprop-2-enyl]-1-piperazinyl]sulfonyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate Traditional Name: 5-[4-[(E)-3-(3-fluorophenyl)acryloyl]piperazino]sulfonylthiophene-3-carboxylic acid methyl ester Formula: C19H19FN2O5S2 MolecularWeight: 438.492963

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CSC(=C1)S(=O)(=O)N2CCN(CC2)C(=O)C=CC3=CC(=CC=C3)F

Isomeric SMILES

COC(=O)C1=CSC(=C1)S(=O)(=O)N2CCN(CC2)C(=O)/C=C/C3=CC(=CC=C3)F

InChI

InChI=1S/C19H19FN2O5S2/c1-27-19(24)15-12-18(28-13-15)29(25,26)22-9-7-21(8-10-22)17(23)6-5-14-3-2-4-16(20)11-14/h2-6,11-13H,7-10H2,1H3/b6-5+