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

Systemtic Name: 3-[[4-[3-(cyclohexylmethylsulfonyl)-4-oxidanyl-phenoxy]-3,5-dimethyl-phenyl]amino]-3-oxidanylidene-propanoic acid Openeye Name: 3-[4-[3-(cyclohexylmethylsulfonyl)-4-hydroxy-phenoxy]-3,5-dimethyl-anilino]-3-oxo-propanoic acid CAS Name: 3-[4-[3-(cyclohexylmethylsulfonyl)-4-hydroxyphenoxy]-3,5-dimethylanilino]-3-oxopropanoic acid IUPAC Name: 3-[4-[3-(cyclohexylmethylsulfonyl)-4-hydroxyphenoxy]-3,5-dimethylanilino]-3-oxopropanoic acid Traditional Name: 3-[4-[3-(cyclohexylmethylsulfonyl)-4-hydroxy-phenoxy]-3,5-dimethyl-anilino]-3-keto-propionic acid Formula: C24H29NO7S MolecularWeight: 475.55456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)S(=O)(=O)CC3CCCCC3)C)NC(=O)CC(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)S(=O)(=O)CC3CCCCC3)C)NC(=O)CC(=O)O

InChI

InChI=1S/C24H29NO7S/c1-15-10-18(25-22(27)13-23(28)29)11-16(2)24(15)32-19-8-9-20(26)21(12-19)33(30,31)14-17-6-4-3-5-7-17/h8-12,17,26H,3-7,13-14H2,1-2H3,(H,25,27)(H,28,29)