5-[3-[(1-ethanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanoylamino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[3-[(1-ethanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanoylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[3-(1-acetylindolin-5-yl)sulfonylpropanoylamino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-1-oxopropyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]propanoylamino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[3-(1-acetylindolin-5-yl)sulfonylpropanoylamino]isophthalic acid Formula: C21H20N2O8S MolecularWeight: 460.4571

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O8S/c1-12(24)23-6-4-13-11-17(2-3-18(13)23)32(30,31)7-5-19(25)22-16-9-14(20(26)27)8-15(10-16)21(28)29/h2-3,8-11H,4-7H2,1H3,(H,22,25)(H,26,27)(H,28,29)