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

Systemtic Name: 2-methyl-3-[3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanoylamino]benzoic acid Openeye Name: 2-methyl-3-[3-(2-methyl-1-propanoyl-indolin-5-yl)sulfonylpropanoylamino]benzoic acid CAS Name: 2-methyl-3-[[3-[[2-methyl-1-(1-oxopropyl)-2,3-dihydroindol-5-yl]sulfonyl]-1-oxopropyl]amino]benzoic acid IUPAC Name: 2-methyl-3-[3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanoylamino]benzoic acid Traditional Name: 2-methyl-3-[3-(2-methyl-1-propionyl-indolin-5-yl)sulfonylpropanoylamino]benzoic acid Formula: C23H26N2O6S MolecularWeight: 458.52734

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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)C(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O6S/c1-4-22(27)25-14(2)12-16-13-17(8-9-20(16)25)32(30,31)11-10-21(26)24-19-7-5-6-18(15(19)3)23(28)29/h5-9,13-14H,4,10-12H2,1-3H3,(H,24,26)(H,28,29)