2-chloranyl-N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]-5-nitro-benzenesulfonamide

Systemtic Name: 2-chloranyl-N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]-5-nitro-benzenesulfonamide Openeye Name: 2-chloro-N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]-5-nitro-benzenesulfonamide CAS Name: 2-chloro-N-[2-[[6-(4-methyl-1-piperazinyl)-4-pyrimidinyl]oxy]ethyl]-5-nitrobenzenesulfonamide IUPAC Name: 2-chloro-N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]-5-nitrobenzenesulfonamide Traditional Name: 2-chloro-N-[2-[6-(4-methylpiperazino)pyrimidin-4-yl]oxyethyl]-5-nitro-benzenesulfonamide Formula: C17H21ClN6O5S MolecularWeight: 456.90384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClN6O5S/c1-22-5-7-23(8-6-22)16-11-17(20-12-19-16)29-9-4-21-30(27,28)15-10-13(24(25)26)2-3-14(15)18/h2-3,10-12,21H,4-9H2,1H3