4-[2-(3-methylbutanoylamino)-4-piperidin-1-ylsulfonyl-phenoxy]benzoic acid

Systemtic Name: 4-[2-(3-methylbutanoylamino)-4-piperidin-1-ylsulfonyl-phenoxy]benzoic acid Openeye Name: 4-[2-(3-methylbutanoylamino)-4-(1-piperidylsulfonyl)phenoxy]benzoic acid CAS Name: 4-[2-[(3-methyl-1-oxobutyl)amino]-4-(1-piperidinylsulfonyl)phenoxy]benzoic acid IUPAC Name: 4-[2-(3-methylbutanoylamino)-4-piperidin-1-ylsulfonylphenoxy]benzoic acid Traditional Name: 4-[2-(isovalerylamino)-4-piperidinosulfonyl-phenoxy]benzoic acid Formula: C23H28N2O6S MolecularWeight: 460.54322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O6S/c1-16(2)14-22(26)24-20-15-19(32(29,30)25-12-4-3-5-13-25)10-11-21(20)31-18-8-6-17(7-9-18)23(27)28/h6-11,15-16H,3-5,12-14H2,1-2H3,(H,24,26)(H,27,28)