ethyl 4-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[(E)-3-(3-fluorophenyl)-1-oxoprop-2-enyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[(E)-3-(3-fluorophenyl)acryloyl]piperazino]sulfonylbenzoic acid ethyl ester Formula: C22H23FN2O5S MolecularWeight: 446.491823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23FN2O5S/c1-2-30-22(27)18-7-9-20(10-8-18)31(28,29)25-14-12-24(13-15-25)21(26)11-6-17-4-3-5-19(23)16-17/h3-11,16H,2,12-15H2,1H3/b11-6+