4-[7-(methylsulfonylamino)-4-oxidanylidene-3-propyl-chromen-2-yl]benzoic acid

Systemtic Name: 4-[7-(methylsulfonylamino)-4-oxidanylidene-3-propyl-chromen-2-yl]benzoic acid Openeye Name: 4-[7-(methanesulfonamido)-4-oxo-3-propyl-chromen-2-yl]benzoic acid CAS Name: 4-[7-(methanesulfonamido)-4-oxo-3-propyl-1-benzopyran-2-yl]benzoic acid IUPAC Name: 4-[7-(methanesulfonamido)-4-oxo-3-propylchromen-2-yl]benzoic acid Traditional Name: 4-[4-keto-7-(methanesulfonamido)-3-propyl-chromen-2-yl]benzoic acid Formula: C20H19NO6S MolecularWeight: 401.43296

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(OC2=C(C1=O)C=CC(=C2)NS(=O)(=O)C)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCC1=C(OC2=C(C1=O)C=CC(=C2)NS(=O)(=O)C)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H19NO6S/c1-3-4-16-18(22)15-10-9-14(21-28(2,25)26)11-17(15)27-19(16)12-5-7-13(8-6-12)20(23)24/h5-11,21H,3-4H2,1-2H3,(H,23,24)