4-[2-(cyclohex-3-en-1-ylcarbonylamino)-4-piperidin-1-ylsulfonyl-phenoxy]benzoic acid

Systemtic Name: 4-[2-(cyclohex-3-en-1-ylcarbonylamino)-4-piperidin-1-ylsulfonyl-phenoxy]benzoic acid Openeye Name: 4-[2-(cyclohex-3-ene-1-carbonylamino)-4-(1-piperidylsulfonyl)phenoxy]benzoic acid CAS Name: 4-[2-[[1-cyclohex-3-enyl(oxo)methyl]amino]-4-(1-piperidinylsulfonyl)phenoxy]benzoic acid IUPAC Name: 4-[2-(cyclohex-3-ene-1-carbonylamino)-4-piperidin-1-ylsulfonylphenoxy]benzoic acid Traditional Name: 4-[2-(cyclohex-3-ene-1-carbonylamino)-4-piperidinosulfonyl-phenoxy]benzoic acid Formula: C25H28N2O6S MolecularWeight: 484.56462

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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)C4CCC=CC4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=C(C=C3)C(=O)O)NC(=O)C4CCC=CC4

InChI

InChI=1S/C25H28N2O6S/c28-24(18-7-3-1-4-8-18)26-22-17-21(34(31,32)27-15-5-2-6-16-27)13-14-23(22)33-20-11-9-19(10-12-20)25(29)30/h1,3,9-14,17-18H,2,4-8,15-16H2,(H,26,28)(H,29,30)