methyl 2-methoxy-5-[[(5-piperidin-1-ylsulfonylpyridin-2-yl)amino]methyl]benzoate

Systemtic Name: methyl 2-methoxy-5-[[(5-piperidin-1-ylsulfonylpyridin-2-yl)amino]methyl]benzoate Openeye Name: methyl 2-methoxy-5-[[[5-(1-piperidylsulfonyl)-2-pyridyl]amino]methyl]benzoate CAS Name: 2-methoxy-5-[[[5-(1-piperidinylsulfonyl)-2-pyridinyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-methoxy-5-[[(5-piperidin-1-ylsulfonylpyridin-2-yl)amino]methyl]benzoate Traditional Name: 2-methoxy-5-[[(5-piperidinosulfonyl-2-pyridyl)amino]methyl]benzoic acid methyl ester Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3)C(=O)OC

InChI

InChI=1S/C20H25N3O5S/c1-27-18-8-6-15(12-17(18)20(24)28-2)13-21-19-9-7-16(14-22-19)29(25,26)23-10-4-3-5-11-23/h6-9,12,14H,3-5,10-11,13H2,1-2H3,(H,21,22)