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

Systemtic Name: 2-[1-[(2,4-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl]oxy-5-morpholin-4-ylsulfonyl-benzoic acid Openeye Name: 2-[2-(2,4-dimethylanilino)-1-methyl-2-oxo-ethoxy]-5-morpholinosulfonyl-benzoic acid CAS Name: 2-[1-(2,4-dimethylanilino)-1-oxopropan-2-yl]oxy-5-(4-morpholinylsulfonyl)benzoic acid IUPAC Name: 2-[1-(2,4-dimethylanilino)-1-oxopropan-2-yl]oxy-5-morpholin-4-ylsulfonylbenzoic acid Traditional Name: 2-[2-(2,4-dimethylanilino)-2-keto-1-methyl-ethoxy]-5-morpholinosulfonyl-benzoic acid Formula: C22H26N2O7S MolecularWeight: 462.51604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)OC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(C)OC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)O)C

InChI

InChI=1S/C22H26N2O7S/c1-14-4-6-19(15(2)12-14)23-21(25)16(3)31-20-7-5-17(13-18(20)22(26)27)32(28,29)24-8-10-30-11-9-24/h4-7,12-13,16H,8-11H2,1-3H3,(H,23,25)(H,26,27)