N,N-diethyl-3-nitro-4-(4-pyrimidin-2-ylpiperazin-1-yl)benzenesulfonamide

Systemtic Name: N,N-diethyl-3-nitro-4-(4-pyrimidin-2-ylpiperazin-1-yl)benzenesulfonamide Openeye Name: N,N-diethyl-3-nitro-4-(4-pyrimidin-2-ylpiperazin-1-yl)benzenesulfonamide CAS Name: N,N-diethyl-3-nitro-4-[4-(2-pyrimidinyl)-1-piperazinyl]benzenesulfonamide IUPAC Name: N,N-diethyl-3-nitro-4-(4-pyrimidin-2-ylpiperazin-1-yl)benzenesulfonamide Traditional Name: N,N-diethyl-3-nitro-4-[4-(2-pyrimidyl)piperazino]benzenesulfonamide Formula: C18H24N6O4S MolecularWeight: 420.48596

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C18H24N6O4S/c1-3-23(4-2)29(27,28)15-6-7-16(17(14-15)24(25)26)21-10-12-22(13-11-21)18-19-8-5-9-20-18/h5-9,14H,3-4,10-13H2,1-2H3