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

Systemtic Name: N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]-4-nitro-benzenesulfonamide Openeye Name: N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]-4-nitro-benzenesulfonamide CAS Name: N-[2-[[6-(4-methyl-1-piperazinyl)-4-pyrimidinyl]oxy]ethyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]-4-nitrobenzenesulfonamide Traditional Name: N-[2-[6-(4-methylpiperazino)pyrimidin-4-yl]oxyethyl]-4-nitro-benzenesulfonamide Formula: C17H22N6O5S MolecularWeight: 422.45878

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC(=NC=N2)OCCNS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=CC(=NC=N2)OCCNS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H22N6O5S/c1-21-7-9-22(10-8-21)16-12-17(19-13-18-16)28-11-6-20-29(26,27)15-4-2-14(3-5-15)23(24)25/h2-5,12-13,20H,6-11H2,1H3