2-methoxy-5-[[3-(4-piperidin-1-ylsulfonylphenyl)propanoylamino]methyl]benzoic acid

Systemtic Name: 2-methoxy-5-[[3-(4-piperidin-1-ylsulfonylphenyl)propanoylamino]methyl]benzoic acid Openeye Name: 2-methoxy-5-[[3-[4-(1-piperidylsulfonyl)phenyl]propanoylamino]methyl]benzoic acid CAS Name: 2-methoxy-5-[[[1-oxo-3-[4-(1-piperidinylsulfonyl)phenyl]propyl]amino]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[[3-(4-piperidin-1-ylsulfonylphenyl)propanoylamino]methyl]benzoic acid Traditional Name: 2-methoxy-5-[[3-(4-piperidinosulfonylphenyl)propanoylamino]methyl]benzoic acid Formula: C23H28N2O6S MolecularWeight: 460.54322

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C(=O)O

InChI

InChI=1S/C23H28N2O6S/c1-31-21-11-7-18(15-20(21)23(27)28)16-24-22(26)12-8-17-5-9-19(10-6-17)32(29,30)25-13-3-2-4-14-25/h5-7,9-11,15H,2-4,8,12-14,16H2,1H3,(H,24,26)(H,27,28)