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

Systemtic Name: 4-[[3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanoylamino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[3-(1-propanoylindolin-5-yl)sulfonylpropanoylamino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[1-oxo-3-[[1-(1-oxopropyl)-2,3-dihydroindol-5-yl]sulfonyl]propyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanoylamino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[3-(1-propionylindolin-5-yl)sulfonylpropanoylamino]methyl]cyclohexanecarboxylic acid Formula: C22H30N2O6S MolecularWeight: 450.5484

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)CCC(=O)NCC3CCC(CC3)C(=O)O

Isomeric SMILES

CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)CCC(=O)NCC3CCC(CC3)C(=O)O

InChI

InChI=1S/C22H30N2O6S/c1-2-21(26)24-11-9-17-13-18(7-8-19(17)24)31(29,30)12-10-20(25)23-14-15-3-5-16(6-4-15)22(27)28/h7-8,13,15-16H,2-6,9-12,14H2,1H3,(H,23,25)(H,27,28)