N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

Systemtic Name: N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide Openeye Name: N-[1-[(2-methylsulfonylphenyl)methyl]-4-piperidyl]-N-(3-pyridylmethyl)pyridine-3-carboxamide CAS Name: N-[1-[(2-methylsulfonylphenyl)methyl]-4-piperidinyl]-N-(3-pyridinylmethyl)-3-pyridinecarboxamide IUPAC Name: N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide Traditional Name: N-[1-(2-mesylbenzyl)-4-piperidyl]-N-(3-pyridylmethyl)nicotinamide Formula: C25H28N4O3S MolecularWeight: 464.57982

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1CN2CCC(CC2)N(CC3=CN=CC=C3)C(=O)C4=CN=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1CN2CCC(CC2)N(CC3=CN=CC=C3)C(=O)C4=CN=CC=C4

InChI

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