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

Systemtic Name: methyl 4-[3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanoylamino]benzoate Openeye Name: methyl 4-[3-(1-propanoylindolin-5-yl)sulfonylpropanoylamino]benzoate CAS Name: 4-[[1-oxo-3-[[1-(1-oxopropyl)-2,3-dihydroindol-5-yl]sulfonyl]propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanoylamino]benzoate Traditional Name: 4-[3-(1-propionylindolin-5-yl)sulfonylpropanoylamino]benzoic acid methyl ester 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=CC=C(C=C3)C(=O)OC

Isomeric SMILES

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

InChI

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