4-[4-(2-chloranyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-yl-pyrimidine

Systemtic Name: 4-[4-(2-chloranyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-yl-pyrimidine Openeye Name: 4-[4-(2-chloro-5-nitro-phenyl)sulfonylpiperazin-1-yl]-6-(1-piperidyl)pyrimidine CAS Name: 4-[4-(2-chloro-5-nitrophenyl)sulfonyl-1-piperazinyl]-6-(1-piperidinyl)pyrimidine IUPAC Name: 4-[4-(2-chloro-5-nitrophenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyrimidine Traditional Name: 4-[4-(2-chloro-5-nitro-phenyl)sulfonylpiperazino]-6-piperidino-pyrimidine Formula: C19H23ClN6O4S MolecularWeight: 466.94172

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC(=NC=N2)N3CCN(CC3)S(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1CCN(CC1)C2=CC(=NC=N2)N3CCN(CC3)S(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H23ClN6O4S/c20-16-5-4-15(26(27)28)12-17(16)31(29,30)25-10-8-24(9-11-25)19-13-18(21-14-22-19)23-6-2-1-3-7-23/h4-5,12-14H,1-3,6-11H2