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

Systemtic Name: 2-[1-[di(propan-2-yl)amino]-1-oxidanylidene-propan-2-yl]oxy-5-morpholin-4-ylsulfonyl-benzoic acid Openeye Name: 2-[2-(diisopropylamino)-1-methyl-2-oxo-ethoxy]-5-morpholinosulfonyl-benzoic acid CAS Name: 2-[1-[di(propan-2-yl)amino]-1-oxopropan-2-yl]oxy-5-(4-morpholinylsulfonyl)benzoic acid IUPAC Name: 2-[1-[di(propan-2-yl)amino]-1-oxopropan-2-yl]oxy-5-morpholin-4-ylsulfonylbenzoic acid Traditional Name: 2-[2-(diisopropylamino)-2-keto-1-methyl-ethoxy]-5-morpholinosulfonyl-benzoic acid Formula: C20H30N2O7S MolecularWeight: 442.5264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)C(=O)C(C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)O

Isomeric SMILES

CC(C)N(C(C)C)C(=O)C(C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)O

InChI

InChI=1S/C20H30N2O7S/c1-13(2)22(14(3)4)19(23)15(5)29-18-7-6-16(12-17(18)20(24)25)30(26,27)21-8-10-28-11-9-21/h6-7,12-15H,8-11H2,1-5H3,(H,24,25)