4-methylsulfonyl-N-(pyridin-3-ylmethyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide

Systemtic Name: 4-methylsulfonyl-N-(pyridin-3-ylmethyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide Openeye Name: 4-methylsulfonyl-N-(3-pyridylmethyl)-N-[1-(4-pyridylmethyl)-4-piperidyl]benzamide CAS Name: 4-methylsulfonyl-N-(3-pyridinylmethyl)-N-[1-(pyridin-4-ylmethyl)-4-piperidinyl]benzamide IUPAC Name: 4-methylsulfonyl-N-(pyridin-3-ylmethyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide Traditional Name: 4-mesyl-N-(3-pyridylmethyl)-N-[1-(4-pyridylmethyl)-4-piperidyl]benzamide Formula: C25H28N4O3S MolecularWeight: 464.57982

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)N(CC2=CN=CC=C2)C3CCN(CC3)CC4=CC=NC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)N(CC2=CN=CC=C2)C3CCN(CC3)CC4=CC=NC=C4

InChI

InChI=1S/C25H28N4O3S/c1-33(31,32)24-6-4-22(5-7-24)25(30)29(19-21-3-2-12-27-17-21)23-10-15-28(16-11-23)18-20-8-13-26-14-9-20/h2-9,12-14,17,23H,10-11,15-16,18-19H2,1H3