4-[2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-4-piperidin-1-ylsulfonyl-phenoxy]benzoic acid

Systemtic Name: 4-[2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-4-piperidin-1-ylsulfonyl-phenoxy]benzoic acid Openeye Name: 4-[2-[[(E)-3-(2-furyl)prop-2-enoyl]amino]-4-(1-piperidylsulfonyl)phenoxy]benzoic acid CAS Name: 4-[2-[[(E)-3-(2-furanyl)-1-oxoprop-2-enyl]amino]-4-(1-piperidinylsulfonyl)phenoxy]benzoic acid IUPAC Name: 4-[2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-4-piperidin-1-ylsulfonylphenoxy]benzoic acid Traditional Name: 4-[2-[[(E)-3-(2-furyl)acryloyl]amino]-4-piperidinosulfonyl-phenoxy]benzoic acid Formula: C25H24N2O7S MolecularWeight: 496.53226

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=C(C=C3)C(=O)O)NC(=O)C=CC4=CC=CO4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=C(C=C3)C(=O)O)NC(=O)/C=C/C4=CC=CO4

InChI

InChI=1S/C25H24N2O7S/c28-24(13-10-19-5-4-16-33-19)26-22-17-21(35(31,32)27-14-2-1-3-15-27)11-12-23(22)34-20-8-6-18(7-9-20)25(29)30/h4-13,16-17H,1-3,14-15H2,(H,26,28)(H,29,30)/b13-10+