2-methoxy-5-[[[1-(phenylsulfonyl)piperidin-4-yl]carbonylamino]methyl]benzoic acid

Systemtic Name: 2-methoxy-5-[[[1-(phenylsulfonyl)piperidin-4-yl]carbonylamino]methyl]benzoic acid Openeye Name: 5-[[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[[1-(benzenesulfonyl)-4-piperidinyl]-oxomethyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[(1-besylisonipecotoyl)amino]methyl]-2-methoxy-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)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H24N2O6S/c1-29-19-8-7-15(13-18(19)21(25)26)14-22-20(24)16-9-11-23(12-10-16)30(27,28)17-5-3-2-4-6-17/h2-8,13,16H,9-12,14H2,1H3,(H,22,24)(H,25,26)