2-[1-[(3,4-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]oxy-5-morpholin-4-ylsulfonyl-benzoic acid

Systemtic Name: 2-[1-[(3,4-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]oxy-5-morpholin-4-ylsulfonyl-benzoic acid Openeye Name: 2-[2-(3,4-dimethoxyanilino)-1-methyl-2-oxo-ethoxy]-5-morpholinosulfonyl-benzoic acid CAS Name: 2-[1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl]oxy-5-(4-morpholinylsulfonyl)benzoic acid IUPAC Name: 2-[1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl]oxy-5-morpholin-4-ylsulfonylbenzoic acid Traditional Name: 2-[2-(3,4-dimethoxyanilino)-2-keto-1-methyl-ethoxy]-5-morpholinosulfonyl-benzoic acid Formula: C22H26N2O9S MolecularWeight: 494.51484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O9S/c1-14(21(25)23-15-4-6-19(30-2)20(12-15)31-3)33-18-7-5-16(13-17(18)22(26)27)34(28,29)24-8-10-32-11-9-24/h4-7,12-14H,8-11H2,1-3H3,(H,23,25)(H,26,27)