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

Systemtic Name: 2-[1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl]oxy-5-morpholin-4-ylsulfonyl-benzoic acid Openeye Name: 2-[2-(isobutylamino)-1-methyl-2-oxo-ethoxy]-5-morpholinosulfonyl-benzoic acid CAS Name: 2-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxy-5-(4-morpholinylsulfonyl)benzoic acid IUPAC Name: 2-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxy-5-morpholin-4-ylsulfonylbenzoic acid Traditional Name: 2-[2-(isobutylamino)-2-keto-1-methyl-ethoxy]-5-morpholinosulfonyl-benzoic acid Formula: C18H26N2O7S MolecularWeight: 414.47324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O7S/c1-12(2)11-19-17(21)13(3)27-16-5-4-14(10-15(16)18(22)23)28(24,25)20-6-8-26-9-7-20/h4-5,10,12-13H,6-9,11H2,1-3H3,(H,19,21)(H,22,23)