4-[2-(cyclohexylcarbonylamino)-4-piperidin-1-ylsulfonyl-phenoxy]benzoic acid

Systemtic Name: 4-[2-(cyclohexylcarbonylamino)-4-piperidin-1-ylsulfonyl-phenoxy]benzoic acid Openeye Name: 4-[2-(cyclohexanecarbonylamino)-4-(1-piperidylsulfonyl)phenoxy]benzoic acid CAS Name: 4-[2-[[cyclohexyl(oxo)methyl]amino]-4-(1-piperidinylsulfonyl)phenoxy]benzoic acid IUPAC Name: 4-[2-(cyclohexanecarbonylamino)-4-piperidin-1-ylsulfonylphenoxy]benzoic acid Traditional Name: 4-[2-(cyclohexanecarbonylamino)-4-piperidinosulfonyl-phenoxy]benzoic acid Formula: C25H30N2O6S MolecularWeight: 486.5805

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C25H30N2O6S/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/h9-14,17-18H,1-8,15-16H2,(H,26,28)(H,29,30)