N-[4-[2-imidazol-1-yl-1-(pyridin-3-ylmethyl)piperidin-4-yl]carbonylphenyl]methanesulfonamide

Systemtic Name: N-[4-[2-imidazol-1-yl-1-(pyridin-3-ylmethyl)piperidin-4-yl]carbonylphenyl]methanesulfonamide Openeye Name: N-[4-[2-imidazol-1-yl-1-(3-pyridylmethyl)piperidine-4-carbonyl]phenyl]methanesulfonamide CAS Name: N-[4-[[2-(1-imidazolyl)-1-(3-pyridinylmethyl)-4-piperidinyl]-oxomethyl]phenyl]methanesulfonamide IUPAC Name: N-[4-[2-imidazol-1-yl-1-(pyridin-3-ylmethyl)piperidine-4-carbonyl]phenyl]methanesulfonamide Traditional Name: N-[4-[2-imidazol-1-yl-1-(3-pyridylmethyl)isonipecotoyl]phenyl]methanesulfonamide Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=C(C=C1)C(=O)C2CCN(C(C2)N3C=CN=C3)CC4=CN=CC=C4

Isomeric SMILES

CS(=O)(=O)NC1=CC=C(C=C1)C(=O)C2CCN(C(C2)N3C=CN=C3)CC4=CN=CC=C4

InChI

InChI=1S/C22H25N5O3S/c1-31(29,30)25-20-6-4-18(5-7-20)22(28)19-8-11-26(15-17-3-2-9-23-14-17)21(13-19)27-12-10-24-16-27/h2-7,9-10,12,14,16,19,21,25H,8,11,13,15H2,1H3