6-[2-(5-methylsulfonyl-2-phenylmethoxy-phenyl)ethyl]pyridine-3-carboxylate

Systemtic Name: 6-[2-(5-methylsulfonyl-2-phenylmethoxy-phenyl)ethyl]pyridine-3-carboxylate Openeye Name: 6-[2-(2-benzyloxy-5-methylsulfonyl-phenyl)ethyl]pyridine-3-carboxylate CAS Name: 6-[2-(5-methylsulfonyl-2-phenylmethoxyphenyl)ethyl]-3-pyridinecarboxylate IUPAC Name: 6-[2-(5-methylsulfonyl-2-phenylmethoxyphenyl)ethyl]pyridine-3-carboxylate Traditional Name: 6-[2-(2-benzoxy-5-mesyl-phenyl)ethyl]nicotinate Formula: C22H20NO5S- MolecularWeight: 410.4629

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)OCC2=CC=CC=C2)CCC3=NC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)OCC2=CC=CC=C2)CCC3=NC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C22H21NO5S/c1-29(26,27)20-11-12-21(28-15-16-5-3-2-4-6-16)17(13-20)7-9-19-10-8-18(14-23-19)22(24)25/h2-6,8,10-14H,7,9,15H2,1H3,(H,24,25)/p-1