N-[2-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]oxyethyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[2-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]oxyethyl]-3-nitro-benzenesulfonamide Openeye Name: N-[2-[6-(4-methyl-1-piperidyl)pyrimidin-4-yl]oxyethyl]-3-nitro-benzenesulfonamide CAS Name: N-[2-[[6-(4-methyl-1-piperidinyl)-4-pyrimidinyl]oxy]ethyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[2-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]oxyethyl]-3-nitrobenzenesulfonamide Traditional Name: N-[2-[6-(4-methylpiperidino)pyrimidin-4-yl]oxyethyl]-3-nitro-benzenesulfonamide Formula: C18H23N5O5S MolecularWeight: 421.47072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=CC(=NC=N2)OCCNS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=CC(=NC=N2)OCCNS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H23N5O5S/c1-14-5-8-22(9-6-14)17-12-18(20-13-19-17)28-10-7-21-29(26,27)16-4-2-3-15(11-16)23(24)25/h2-4,11-14,21H,5-10H2,1H3