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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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