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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C(CC2=C1C=CC(=C2)S(=O)(=O)CCC(=O)NC3=CC=CC=C3C(=O)O)C

Isomeric SMILES

CCC(=O)N1C(CC2=C1C=CC(=C2)S(=O)(=O)CCC(=O)NC3=CC=CC=C3C(=O)O)C

InChI

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