3-[[4-[1-[(2-azanylpyridin-4-yl)methyl]piperidin-4-yl]carbonylpiperazin-1-yl]methyl]-N,N-dimethyl-benzenesulfonamide

Systemtic Name: 3-[[4-[1-[(2-azanylpyridin-4-yl)methyl]piperidin-4-yl]carbonylpiperazin-1-yl]methyl]-N,N-dimethyl-benzenesulfonamide Openeye Name: 3-[[4-[1-[(2-amino-4-pyridyl)methyl]piperidine-4-carbonyl]piperazin-1-yl]methyl]-N,N-dimethyl-benzenesulfonamide CAS Name: 3-[[4-[[1-[(2-amino-4-pyridinyl)methyl]-4-piperidinyl]-oxomethyl]-1-piperazinyl]methyl]-N,N-dimethylbenzenesulfonamide IUPAC Name: 3-[[4-[1-[(2-aminopyridin-4-yl)methyl]piperidine-4-carbonyl]piperazin-1-yl]methyl]-N,N-dimethylbenzenesulfonamide Traditional Name: 3-[[4-[1-[(2-amino-4-pyridyl)methyl]isonipecotoyl]piperazino]methyl]-N,N-dimethyl-benzenesulfonamide Formula: C25H36N6O3S MolecularWeight: 500.65674

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)CN2CCN(CC2)C(=O)C3CCN(CC3)CC4=CC(=NC=C4)N

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)CN2CCN(CC2)C(=O)C3CCN(CC3)CC4=CC(=NC=C4)N

InChI

InChI=1S/C25H36N6O3S/c1-28(2)35(33,34)23-5-3-4-20(16-23)18-30-12-14-31(15-13-30)25(32)22-7-10-29(11-8-22)19-21-6-9-27-24(26)17-21/h3-6,9,16-17,22H,7-8,10-15,18-19H2,1-2H3,(H2,26,27)