ethyl 4-[4-[(E)-3-thiophen-3-ylprop-2-enoyl]piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[(E)-3-thiophen-3-ylprop-2-enoyl]piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[(E)-3-(3-thienyl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[(E)-1-oxo-3-(3-thiophenyl)prop-2-enyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(E)-3-thiophen-3-ylprop-2-enoyl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[(E)-3-(3-thienyl)acryloyl]piperazino]sulfonylbenzoic acid ethyl ester Formula: C20H22N2O5S2 MolecularWeight: 434.52908

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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=CSC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O5S2/c1-2-27-20(24)17-4-6-18(7-5-17)29(25,26)22-12-10-21(11-13-22)19(23)8-3-16-9-14-28-15-16/h3-9,14-15H,2,10-13H2,1H3/b8-3+