N-[2-[4-[[3-(hydroxymethyl)pyridin-2-yl]-methyl-amino]piperidin-1-yl]carbonyl-1H-indol-5-yl]methanesulfonamide

Systemtic Name: N-[2-[4-[[3-(hydroxymethyl)pyridin-2-yl]-methyl-amino]piperidin-1-yl]carbonyl-1H-indol-5-yl]methanesulfonamide Openeye Name: N-[2-[4-[[3-(hydroxymethyl)-2-pyridyl]-methyl-amino]piperidine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide CAS Name: N-[2-[[4-[[3-(hydroxymethyl)-2-pyridinyl]-methylamino]-1-piperidinyl]-oxomethyl]-1H-indol-5-yl]methanesulfonamide IUPAC Name: N-[2-[4-[[3-(hydroxymethyl)pyridin-2-yl]-methylamino]piperidine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide Traditional Name: N-[2-[4-[methyl-(3-methylol-2-pyridyl)amino]piperidine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide Formula: C22H27N5O4S MolecularWeight: 457.54588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCN(CC1)C(=O)C2=CC3=C(N2)C=CC(=C3)NS(=O)(=O)C)C4=C(C=CC=N4)CO

Isomeric SMILES

CN(C1CCN(CC1)C(=O)C2=CC3=C(N2)C=CC(=C3)NS(=O)(=O)C)C4=C(C=CC=N4)CO

InChI

InChI=1S/C22H27N5O4S/c1-26(21-15(14-28)4-3-9-23-21)18-7-10-27(11-8-18)22(29)20-13-16-12-17(25-32(2,30)31)5-6-19(16)24-20/h3-6,9,12-13,18,24-25,28H,7-8,10-11,14H2,1-2H3