3-methyl-1-[4-[[6-(4-methylsulfonylphenyl)pyridin-3-yl]oxymethyl]piperidin-1-yl]but-2-en-1-one

Systemtic Name: 3-methyl-1-[4-[[6-(4-methylsulfonylphenyl)pyridin-3-yl]oxymethyl]piperidin-1-yl]but-2-en-1-one Openeye Name: 3-methyl-1-[4-[[6-(4-methylsulfonylphenyl)-3-pyridyl]oxymethyl]-1-piperidyl]but-2-en-1-one CAS Name: 3-methyl-1-[4-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxymethyl]-1-piperidinyl]-2-buten-1-one IUPAC Name: 3-methyl-1-[4-[[6-(4-methylsulfonylphenyl)pyridin-3-yl]oxymethyl]piperidin-1-yl]but-2-en-1-one Traditional Name: 1-[4-[[6-(4-mesylphenyl)-3-pyridyl]oxymethyl]piperidino]-3-methyl-but-2-en-1-one Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)N1CCC(CC1)COC2=CN=C(C=C2)C3=CC=C(C=C3)S(=O)(=O)C)C

Isomeric SMILES

CC(=CC(=O)N1CCC(CC1)COC2=CN=C(C=C2)C3=CC=C(C=C3)S(=O)(=O)C)C

InChI

InChI=1S/C23H28N2O4S/c1-17(2)14-23(26)25-12-10-18(11-13-25)16-29-20-6-9-22(24-15-20)19-4-7-21(8-5-19)30(3,27)28/h4-9,14-15,18H,10-13,16H2,1-3H3