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

Systemtic Name: 3-[[3-chloranyl-4-[3-(cyclopropylmethylsulfonyl)-4-oxidanyl-phenoxy]-5-methyl-phenyl]amino]-3-oxidanylidene-propanoic acid Openeye Name: 3-[3-chloro-4-[3-(cyclopropylmethylsulfonyl)-4-hydroxy-phenoxy]-5-methyl-anilino]-3-oxo-propanoic acid CAS Name: 3-[3-chloro-4-[3-(cyclopropylmethylsulfonyl)-4-hydroxyphenoxy]-5-methylanilino]-3-oxopropanoic acid IUPAC Name: 3-[3-chloro-4-[3-(cyclopropylmethylsulfonyl)-4-hydroxyphenoxy]-5-methylanilino]-3-oxopropanoic acid Traditional Name: 3-[3-chloro-4-[3-(cyclopropylmethylsulfonyl)-4-hydroxy-phenoxy]-5-methyl-anilino]-3-keto-propionic acid Formula: C20H20ClNO7S MolecularWeight: 453.8933

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)S(=O)(=O)CC3CC3)Cl)NC(=O)CC(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)S(=O)(=O)CC3CC3)Cl)NC(=O)CC(=O)O

InChI

InChI=1S/C20H20ClNO7S/c1-11-6-13(22-18(24)9-19(25)26)7-15(21)20(11)29-14-4-5-16(23)17(8-14)30(27,28)10-12-2-3-12/h4-8,12,23H,2-3,9-10H2,1H3,(H,22,24)(H,25,26)