2-[1-[(2-methoxypyridin-3-yl)methyl]piperidin-4-yl]-2-(2-methylsulfonylphenyl)ethanal

Systemtic Name: 2-[1-[(2-methoxypyridin-3-yl)methyl]piperidin-4-yl]-2-(2-methylsulfonylphenyl)ethanal Openeye Name: 2-[1-[(2-methoxy-3-pyridyl)methyl]-4-piperidyl]-2-(2-methylsulfonylphenyl)acetaldehyde CAS Name: 2-[1-[(2-methoxy-3-pyridinyl)methyl]-4-piperidinyl]-2-(2-methylsulfonylphenyl)acetaldehyde IUPAC Name: 2-[1-[(2-methoxypyridin-3-yl)methyl]piperidin-4-yl]-2-(2-methylsulfonylphenyl)acetaldehyde Traditional Name: 2-(2-mesylphenyl)-2-[1-[(2-methoxy-3-pyridyl)methyl]-4-piperidyl]acetaldehyde Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC=N1)CN2CCC(CC2)C(C=O)C3=CC=CC=C3S(=O)(=O)C

Isomeric SMILES

COC1=C(C=CC=N1)CN2CCC(CC2)C(C=O)C3=CC=CC=C3S(=O)(=O)C

InChI

InChI=1S/C21H26N2O4S/c1-27-21-17(6-5-11-22-21)14-23-12-9-16(10-13-23)19(15-24)18-7-3-4-8-20(18)28(2,25)26/h3-8,11,15-16,19H,9-10,12-14H2,1-2H3