2-[1-[(3-chloranyl-4-methoxy-phenyl)amino]-1-oxidanylidene-propan-2-yl]oxy-5-morpholin-4-ylsulfonyl-benzoic acid

Systemtic Name: 2-[1-[(3-chloranyl-4-methoxy-phenyl)amino]-1-oxidanylidene-propan-2-yl]oxy-5-morpholin-4-ylsulfonyl-benzoic acid Openeye Name: 2-[2-(3-chloro-4-methoxy-anilino)-1-methyl-2-oxo-ethoxy]-5-morpholinosulfonyl-benzoic acid CAS Name: 2-[1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]oxy-5-(4-morpholinylsulfonyl)benzoic acid IUPAC Name: 2-[1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]oxy-5-morpholin-4-ylsulfonylbenzoic acid Traditional Name: 2-[2-(3-chloro-4-methoxy-anilino)-2-keto-1-methyl-ethoxy]-5-morpholinosulfonyl-benzoic acid Formula: C21H23ClN2O8S MolecularWeight: 498.93392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)OC)Cl)OC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)O

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)OC)Cl)OC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)O

InChI

InChI=1S/C21H23ClN2O8S/c1-13(20(25)23-14-3-5-19(30-2)17(22)11-14)32-18-6-4-15(12-16(18)21(26)27)33(28,29)24-7-9-31-10-8-24/h3-6,11-13H,7-10H2,1-2H3,(H,23,25)(H,26,27)