2-[4-[1-[(2-azanylpyridin-4-yl)methyl]piperidin-4-yl]carbonylpiperazin-1-yl]sulfonyl-N-methyl-benzenesulfonamide

Systemtic Name: 2-[4-[1-[(2-azanylpyridin-4-yl)methyl]piperidin-4-yl]carbonylpiperazin-1-yl]sulfonyl-N-methyl-benzenesulfonamide Openeye Name: 2-[4-[1-[(2-amino-4-pyridyl)methyl]piperidine-4-carbonyl]piperazin-1-yl]sulfonyl-N-methyl-benzenesulfonamide CAS Name: 2-[[4-[[1-[(2-amino-4-pyridinyl)methyl]-4-piperidinyl]-oxomethyl]-1-piperazinyl]sulfonyl]-N-methylbenzenesulfonamide IUPAC Name: 2-[4-[1-[(2-aminopyridin-4-yl)methyl]piperidine-4-carbonyl]piperazin-1-yl]sulfonyl-N-methylbenzenesulfonamide Traditional Name: 2-[4-[1-[(2-amino-4-pyridyl)methyl]isonipecotoyl]piperazino]sulfonyl-N-methyl-benzenesulfonamide Formula: C23H32N6O5S2 MolecularWeight: 536.66738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N2CCN(CC2)C(=O)C3CCN(CC3)CC4=CC(=NC=C4)N

Isomeric SMILES

CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N2CCN(CC2)C(=O)C3CCN(CC3)CC4=CC(=NC=C4)N

InChI

InChI=1S/C23H32N6O5S2/c1-25-35(31,32)20-4-2-3-5-21(20)36(33,34)29-14-12-28(13-15-29)23(30)19-7-10-27(11-8-19)17-18-6-9-26-22(24)16-18/h2-6,9,16,19,25H,7-8,10-15,17H2,1H3,(H2,24,26)