4-[7-[2-hydroxyethyl(methyl)sulfamoyl]-4-oxidanylidene-3-propyl-chromen-2-yl]benzoic acid

Systemtic Name: 4-[7-[2-hydroxyethyl(methyl)sulfamoyl]-4-oxidanylidene-3-propyl-chromen-2-yl]benzoic acid Openeye Name: 4-[7-[2-hydroxyethyl(methyl)sulfamoyl]-4-oxo-3-propyl-chromen-2-yl]benzoic acid CAS Name: 4-[7-[2-hydroxyethyl(methyl)sulfamoyl]-4-oxo-3-propyl-1-benzopyran-2-yl]benzoic acid IUPAC Name: 4-[7-[2-hydroxyethyl(methyl)sulfamoyl]-4-oxo-3-propylchromen-2-yl]benzoic acid Traditional Name: 4-[7-[2-hydroxyethyl(methyl)sulfamoyl]-4-keto-3-propyl-chromen-2-yl]benzoic acid Formula: C22H23NO7S MolecularWeight: 445.48552

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(OC2=C(C1=O)C=CC(=C2)S(=O)(=O)N(C)CCO)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCC1=C(OC2=C(C1=O)C=CC(=C2)S(=O)(=O)N(C)CCO)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H23NO7S/c1-3-4-18-20(25)17-10-9-16(31(28,29)23(2)11-12-24)13-19(17)30-21(18)14-5-7-15(8-6-14)22(26)27/h5-10,13,24H,3-4,11-12H2,1-2H3,(H,26,27)