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

Systemtic Name: 3-[[3-chloranyl-4-[3-(cyclopentylmethylsulfonyl)-4-oxidanyl-phenoxy]-5-methyl-phenyl]amino]-3-oxidanylidene-propanoic acid Openeye Name: 3-[3-chloro-4-[3-(cyclopentylmethylsulfonyl)-4-hydroxy-phenoxy]-5-methyl-anilino]-3-oxo-propanoic acid CAS Name: 3-[3-chloro-4-[3-(cyclopentylmethylsulfonyl)-4-hydroxyphenoxy]-5-methylanilino]-3-oxopropanoic acid IUPAC Name: 3-[3-chloro-4-[3-(cyclopentylmethylsulfonyl)-4-hydroxyphenoxy]-5-methylanilino]-3-oxopropanoic acid Traditional Name: 3-[3-chloro-4-[3-(cyclopentylmethylsulfonyl)-4-hydroxy-phenoxy]-5-methyl-anilino]-3-keto-propionic acid Formula: C22H24ClNO7S MolecularWeight: 481.94646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)S(=O)(=O)CC3CCCC3)Cl)NC(=O)CC(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)S(=O)(=O)CC3CCCC3)Cl)NC(=O)CC(=O)O

InChI

InChI=1S/C22H24ClNO7S/c1-13-8-15(24-20(26)11-21(27)28)9-17(23)22(13)31-16-6-7-18(25)19(10-16)32(29,30)12-14-4-2-3-5-14/h6-10,14,25H,2-5,11-12H2,1H3,(H,24,26)(H,27,28)