2-[1-[(2-ethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]oxy-5-morpholin-4-ylsulfonyl-benzoic acid

Systemtic Name: 2-[1-[(2-ethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]oxy-5-morpholin-4-ylsulfonyl-benzoic acid Openeye Name: 2-[2-(2-ethoxyanilino)-1-methyl-2-oxo-ethoxy]-5-morpholinosulfonyl-benzoic acid CAS Name: 2-[1-(2-ethoxyanilino)-1-oxopropan-2-yl]oxy-5-(4-morpholinylsulfonyl)benzoic acid IUPAC Name: 2-[1-(2-ethoxyanilino)-1-oxopropan-2-yl]oxy-5-morpholin-4-ylsulfonylbenzoic acid Traditional Name: 2-[2-keto-1-methyl-2-(o-phenetidino)ethoxy]-5-morpholinosulfonyl-benzoic acid Formula: C22H26N2O8S MolecularWeight: 478.51544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(C)OC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)O

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)C(C)OC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)O

InChI

InChI=1S/C22H26N2O8S/c1-3-31-20-7-5-4-6-18(20)23-21(25)15(2)32-19-9-8-16(14-17(19)22(26)27)33(28,29)24-10-12-30-13-11-24/h4-9,14-15H,3,10-13H2,1-2H3,(H,23,25)(H,26,27)