ethyl 4-[4-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[(E)-3-(5-methyl-2-furyl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[(E)-3-(5-methyl-2-furanyl)-1-oxoprop-2-enyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[(E)-3-(5-methyl-2-furyl)acryloyl]piperazino]sulfonylbenzoic acid ethyl ester Formula: C21H24N2O6S MolecularWeight: 432.49006

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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=C(O3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)/C=C/C3=CC=C(O3)C

InChI

InChI=1S/C21H24N2O6S/c1-3-28-21(25)17-5-9-19(10-6-17)30(26,27)23-14-12-22(13-15-23)20(24)11-8-18-7-4-16(2)29-18/h4-11H,3,12-15H2,1-2H3/b11-8+