2-[[3-chloranyl-4-[3-(cyclopropylsulfonylamino)-4-oxidanyl-phenoxy]-5-methyl-phenyl]amino]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[[3-chloranyl-4-[3-(cyclopropylsulfonylamino)-4-oxidanyl-phenoxy]-5-methyl-phenyl]amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[3-chloro-4-[3-(cyclopropylsulfonylamino)-4-hydroxy-phenoxy]-5-methyl-anilino]-2-oxo-acetic acid CAS Name: 2-[3-chloro-4-[3-(cyclopropylsulfonylamino)-4-hydroxyphenoxy]-5-methylanilino]-2-oxoacetic acid IUPAC Name: 2-[3-chloro-4-[3-(cyclopropylsulfonylamino)-4-hydroxyphenoxy]-5-methylanilino]-2-oxoacetic acid Traditional Name: 2-[3-chloro-4-[3-(cyclopropylsulfonylamino)-4-hydroxy-phenoxy]-5-methyl-anilino]-2-keto-acetic acid Formula: C18H17ClN2O7S MolecularWeight: 440.85478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)NS(=O)(=O)C3CC3)Cl)NC(=O)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)NS(=O)(=O)C3CC3)Cl)NC(=O)C(=O)O

InChI

InChI=1S/C18H17ClN2O7S/c1-9-6-10(20-17(23)18(24)25)7-13(19)16(9)28-11-2-5-15(22)14(8-11)21-29(26,27)12-3-4-12/h2,5-8,12,21-22H,3-4H2,1H3,(H,20,23)(H,24,25)