4-methyl-3-[3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanoylamino]benzoic acid

Systemtic Name: 4-methyl-3-[3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanoylamino]benzoic acid Openeye Name: 4-methyl-3-[3-(1-propanoylindolin-5-yl)sulfonylpropanoylamino]benzoic acid CAS Name: 4-methyl-3-[[1-oxo-3-[[1-(1-oxopropyl)-2,3-dihydroindol-5-yl]sulfonyl]propyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanoylamino]benzoic acid Traditional Name: 4-methyl-3-[3-(1-propionylindolin-5-yl)sulfonylpropanoylamino]benzoic acid Formula: C22H24N2O6S MolecularWeight: 444.50076

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)CCC(=O)NC3=C(C=CC(=C3)C(=O)O)C

Isomeric SMILES

CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)CCC(=O)NC3=C(C=CC(=C3)C(=O)O)C

InChI

InChI=1S/C22H24N2O6S/c1-3-21(26)24-10-8-15-12-17(6-7-19(15)24)31(29,30)11-9-20(25)23-18-13-16(22(27)28)5-4-14(18)2/h4-7,12-13H,3,8-11H2,1-2H3,(H,23,25)(H,27,28)