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

Systemtic Name: 5-morpholin-4-ylsulfonyl-2-[1-oxidanylidene-1-(propylamino)propan-2-yl]oxy-benzoic acid Openeye Name: 2-[1-methyl-2-oxo-2-(propylamino)ethoxy]-5-morpholinosulfonyl-benzoic acid CAS Name: 5-(4-morpholinylsulfonyl)-2-[1-oxo-1-(propylamino)propan-2-yl]oxybenzoic acid IUPAC Name: 5-morpholin-4-ylsulfonyl-2-[1-oxo-1-(propylamino)propan-2-yl]oxybenzoic acid Traditional Name: 2-[2-keto-1-methyl-2-(propylamino)ethoxy]-5-morpholinosulfonyl-benzoic acid Formula: C17H24N2O7S MolecularWeight: 400.44666

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)O

Isomeric SMILES

CCCNC(=O)C(C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)O

InChI

InChI=1S/C17H24N2O7S/c1-3-6-18-16(20)12(2)26-15-5-4-13(11-14(15)17(21)22)27(23,24)19-7-9-25-10-8-19/h4-5,11-12H,3,6-10H2,1-2H3,(H,18,20)(H,21,22)