4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)carbonylamino]-4-piperidin-1-ylsulfonyl-phenoxy]benzoic acid

Systemtic Name: 4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)carbonylamino]-4-piperidin-1-ylsulfonyl-phenoxy]benzoic acid Openeye Name: 4-[2-[(3,5-dimethylisoxazole-4-carbonyl)amino]-4-(1-piperidylsulfonyl)phenoxy]benzoic acid CAS Name: 4-[2-[[(3,5-dimethyl-4-isoxazolyl)-oxomethyl]amino]-4-(1-piperidinylsulfonyl)phenoxy]benzoic acid IUPAC Name: 4-[2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-4-piperidin-1-ylsulfonylphenoxy]benzoic acid Traditional Name: 4-[2-[(3,5-dimethylisoxazole-4-carbonyl)amino]-4-piperidinosulfonyl-phenoxy]benzoic acid Formula: C24H25N3O7S MolecularWeight: 499.5362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=C(C(=NO1)C)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C24H25N3O7S/c1-15-22(16(2)34-26-15)23(28)25-20-14-19(35(31,32)27-12-4-3-5-13-27)10-11-21(20)33-18-8-6-17(7-9-18)24(29)30/h6-11,14H,3-5,12-13H2,1-2H3,(H,25,28)(H,29,30)