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

Systemtic Name: 3-[[3-chloranyl-4-[3-(cyclopropylsulfamoyl)-4-oxidanyl-phenoxy]-5-methyl-phenyl]amino]-3-oxidanylidene-propanoic acid Openeye Name: 3-[3-chloro-4-[3-(cyclopropylsulfamoyl)-4-hydroxy-phenoxy]-5-methyl-anilino]-3-oxo-propanoic acid CAS Name: 3-[3-chloro-4-[3-(cyclopropylsulfamoyl)-4-hydroxyphenoxy]-5-methylanilino]-3-oxopropanoic acid IUPAC Name: 3-[3-chloro-4-[3-(cyclopropylsulfamoyl)-4-hydroxyphenoxy]-5-methylanilino]-3-oxopropanoic acid Traditional Name: 3-[3-chloro-4-[3-(cyclopropylsulfamoyl)-4-hydroxy-phenoxy]-5-methyl-anilino]-3-keto-propionic acid Formula: C19H19ClN2O7S MolecularWeight: 454.88136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)S(=O)(=O)NC3CC3)Cl)NC(=O)CC(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)S(=O)(=O)NC3CC3)Cl)NC(=O)CC(=O)O

InChI

InChI=1S/C19H19ClN2O7S/c1-10-6-12(21-17(24)9-18(25)26)7-14(20)19(10)29-13-4-5-15(23)16(8-13)30(27,28)22-11-2-3-11/h4-8,11,22-23H,2-3,9H2,1H3,(H,21,24)(H,25,26)