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

Systemtic Name: 4-[2-(pentanoylamino)-4-piperidin-1-ylsulfonyl-phenoxy]benzoic acid Openeye Name: 4-[2-(pentanoylamino)-4-(1-piperidylsulfonyl)phenoxy]benzoic acid CAS Name: 4-[2-(1-oxopentylamino)-4-(1-piperidinylsulfonyl)phenoxy]benzoic acid IUPAC Name: 4-[2-(pentanoylamino)-4-piperidin-1-ylsulfonylphenoxy]benzoic acid Traditional Name: 4-[4-piperidinosulfonyl-2-(valerylamino)phenoxy]benzoic acid Formula: C23H28N2O6S MolecularWeight: 460.54322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)OC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)OC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C23H28N2O6S/c1-2-3-7-22(26)24-20-16-19(32(29,30)25-14-5-4-6-15-25)12-13-21(20)31-18-10-8-17(9-11-18)23(27)28/h8-13,16H,2-7,14-15H2,1H3,(H,24,26)(H,27,28)