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

Systemtic Name: 2-methoxy-5-[[(3-piperidin-1-ylsulfonylphenyl)carbonylamino]methyl]benzoic acid Openeye Name: 2-methoxy-5-[[[3-(1-piperidylsulfonyl)benzoyl]amino]methyl]benzoic acid CAS Name: 2-methoxy-5-[[[oxo-[3-(1-piperidinylsulfonyl)phenyl]methyl]amino]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[[(3-piperidin-1-ylsulfonylbenzoyl)amino]methyl]benzoic acid Traditional Name: 2-methoxy-5-[[(3-piperidinosulfonylbenzoyl)amino]methyl]benzoic acid Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O6S/c1-29-19-9-8-15(12-18(19)21(25)26)14-22-20(24)16-6-5-7-17(13-16)30(27,28)23-10-3-2-4-11-23/h5-9,12-13H,2-4,10-11,14H2,1H3,(H,22,24)(H,25,26)