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

Systemtic Name: 4-[2-(2-cyclopentylethanoylamino)-4-piperidin-1-ylsulfonyl-phenoxy]benzoic acid Openeye Name: 4-[2-[(2-cyclopentylacetyl)amino]-4-(1-piperidylsulfonyl)phenoxy]benzoic acid CAS Name: 4-[2-[(2-cyclopentyl-1-oxoethyl)amino]-4-(1-piperidinylsulfonyl)phenoxy]benzoic acid IUPAC Name: 4-[2-[(2-cyclopentylacetyl)amino]-4-piperidin-1-ylsulfonylphenoxy]benzoic acid Traditional Name: 4-[2-[(2-cyclopentylacetyl)amino]-4-piperidinosulfonyl-phenoxy]benzoic acid Formula: C25H30N2O6S MolecularWeight: 486.5805

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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)CC4CCCC4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=C(C=C3)C(=O)O)NC(=O)CC4CCCC4

InChI

InChI=1S/C25H30N2O6S/c28-24(16-18-6-2-3-7-18)26-22-17-21(34(31,32)27-14-4-1-5-15-27)12-13-23(22)33-20-10-8-19(9-11-20)25(29)30/h8-13,17-18H,1-7,14-16H2,(H,26,28)(H,29,30)