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

Systemtic Name: 3-[[3-chloranyl-4-[3-(cyclohexylmethylsulfonyl)-4-oxidanyl-phenoxy]-5-methyl-phenyl]amino]-3-oxidanylidene-propanoic acid Openeye Name: 3-[3-chloro-4-[3-(cyclohexylmethylsulfonyl)-4-hydroxy-phenoxy]-5-methyl-anilino]-3-oxo-propanoic acid CAS Name: 3-[3-chloro-4-[3-(cyclohexylmethylsulfonyl)-4-hydroxyphenoxy]-5-methylanilino]-3-oxopropanoic acid IUPAC Name: 3-[3-chloro-4-[3-(cyclohexylmethylsulfonyl)-4-hydroxyphenoxy]-5-methylanilino]-3-oxopropanoic acid Traditional Name: 3-[3-chloro-4-[3-(cyclohexylmethylsulfonyl)-4-hydroxy-phenoxy]-5-methyl-anilino]-3-keto-propionic acid Formula: C23H26ClNO7S MolecularWeight: 495.97304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26ClNO7S/c1-14-9-16(25-21(27)12-22(28)29)10-18(24)23(14)32-17-7-8-19(26)20(11-17)33(30,31)13-15-5-3-2-4-6-15/h7-11,15,26H,2-6,12-13H2,1H3,(H,25,27)(H,28,29)