N-(2-methoxyphenyl)-5-nitro-2-(4-pyrimidin-2-ylpiperazin-1-yl)benzenesulfonamide

Systemtic Name: N-(2-methoxyphenyl)-5-nitro-2-(4-pyrimidin-2-ylpiperazin-1-yl)benzenesulfonamide Openeye Name: N-(2-methoxyphenyl)-5-nitro-2-(4-pyrimidin-2-ylpiperazin-1-yl)benzenesulfonamide CAS Name: N-(2-methoxyphenyl)-5-nitro-2-[4-(2-pyrimidinyl)-1-piperazinyl]benzenesulfonamide IUPAC Name: N-(2-methoxyphenyl)-5-nitro-2-(4-pyrimidin-2-ylpiperazin-1-yl)benzenesulfonamide Traditional Name: N-(2-methoxyphenyl)-5-nitro-2-[4-(2-pyrimidyl)piperazino]benzenesulfonamide Formula: C21H22N6O5S MolecularWeight: 470.50158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H22N6O5S/c1-32-19-6-3-2-5-17(19)24-33(30,31)20-15-16(27(28)29)7-8-18(20)25-11-13-26(14-12-25)21-22-9-4-10-23-21/h2-10,15,24H,11-14H2,1H3