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

Systemtic Name: 3-[[3-chloranyl-4-[3-(cyclobutylmethylsulfonyl)-4-oxidanyl-phenoxy]-5-methyl-phenyl]amino]-3-oxidanylidene-propanoic acid Openeye Name: 3-[3-chloro-4-[3-(cyclobutylmethylsulfonyl)-4-hydroxy-phenoxy]-5-methyl-anilino]-3-oxo-propanoic acid CAS Name: 3-[3-chloro-4-[3-(cyclobutylmethylsulfonyl)-4-hydroxyphenoxy]-5-methylanilino]-3-oxopropanoic acid IUPAC Name: 3-[3-chloro-4-[3-(cyclobutylmethylsulfonyl)-4-hydroxyphenoxy]-5-methylanilino]-3-oxopropanoic acid Traditional Name: 3-[3-chloro-4-[3-(cyclobutylmethylsulfonyl)-4-hydroxy-phenoxy]-5-methyl-anilino]-3-keto-propionic acid Formula: C21H22ClNO7S MolecularWeight: 467.91988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)S(=O)(=O)CC3CCC3)Cl)NC(=O)CC(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)S(=O)(=O)CC3CCC3)Cl)NC(=O)CC(=O)O

InChI

InChI=1S/C21H22ClNO7S/c1-12-7-14(23-19(25)10-20(26)27)8-16(22)21(12)30-15-5-6-17(24)18(9-15)31(28,29)11-13-3-2-4-13/h5-9,13,24H,2-4,10-11H2,1H3,(H,23,25)(H,26,27)