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

Systemtic Name: 3-[3-[(1-ethanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanoylamino]benzoic acid Openeye Name: 3-[3-(1-acetylindolin-5-yl)sulfonylpropanoylamino]benzoic acid CAS Name: 3-[[3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-1-oxopropyl]amino]benzoic acid IUPAC Name: 3-[3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]propanoylamino]benzoic acid Traditional Name: 3-[3-(1-acetylindolin-5-yl)sulfonylpropanoylamino]benzoic acid Formula: C20H20N2O6S MolecularWeight: 416.4476

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O6S/c1-13(23)22-9-7-14-12-17(5-6-18(14)22)29(27,28)10-8-19(24)21-16-4-2-3-15(11-16)20(25)26/h2-6,11-12H,7-10H2,1H3,(H,21,24)(H,25,26)