3-[[4-(3-cyclopentylsulfonyl-4-oxidanyl-phenoxy)-3,5-dimethyl-phenyl]amino]-2-methyl-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[[4-(3-cyclopentylsulfonyl-4-oxidanyl-phenoxy)-3,5-dimethyl-phenyl]amino]-2-methyl-3-oxidanylidene-propanoic acid Openeye Name: 3-[4-(3-cyclopentylsulfonyl-4-hydroxy-phenoxy)-3,5-dimethyl-anilino]-2-methyl-3-oxo-propanoic acid CAS Name: 3-[4-(3-cyclopentylsulfonyl-4-hydroxyphenoxy)-3,5-dimethylanilino]-2-methyl-3-oxopropanoic acid IUPAC Name: 3-[4-(3-cyclopentylsulfonyl-4-hydroxyphenoxy)-3,5-dimethylanilino]-2-methyl-3-oxopropanoic acid Traditional Name: 3-[4-(3-cyclopentylsulfonyl-4-hydroxy-phenoxy)-3,5-dimethyl-anilino]-3-keto-2-methyl-propionic acid Formula: C23H27NO7S MolecularWeight: 461.52798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)S(=O)(=O)C3CCCC3)C)NC(=O)C(C)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)S(=O)(=O)C3CCCC3)C)NC(=O)C(C)C(=O)O

InChI

InChI=1S/C23H27NO7S/c1-13-10-16(24-22(26)15(3)23(27)28)11-14(2)21(13)31-17-8-9-19(25)20(12-17)32(29,30)18-6-4-5-7-18/h8-12,15,18,25H,4-7H2,1-3H3,(H,24,26)(H,27,28)