4-methyl-N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]-3,5-dinitro-benzenesulfonamide

Systemtic Name: 4-methyl-N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]-3,5-dinitro-benzenesulfonamide Openeye Name: 4-methyl-N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]-3,5-dinitro-benzenesulfonamide CAS Name: 4-methyl-N-[2-[[6-(4-methyl-1-piperazinyl)-4-pyrimidinyl]oxy]ethyl]-3,5-dinitrobenzenesulfonamide IUPAC Name: 4-methyl-N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]-3,5-dinitrobenzenesulfonamide Traditional Name: 4-methyl-N-[2-[6-(4-methylpiperazino)pyrimidin-4-yl]oxyethyl]-3,5-dinitro-benzenesulfonamide Formula: C18H23N7O7S MolecularWeight: 481.48292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NCCOC2=NC=NC(=C2)N3CCN(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NCCOC2=NC=NC(=C2)N3CCN(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C18H23N7O7S/c1-13-15(24(26)27)9-14(10-16(13)25(28)29)33(30,31)21-3-8-32-18-11-17(19-12-20-18)23-6-4-22(2)5-7-23/h9-12,21H,3-8H2,1-2H3