[1-(2-chloranyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [1-(2-chloranyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [1-(2-chloro-5-nitro-phenyl)sulfonyl-4-piperidyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [1-(2-chloro-5-nitrophenyl)sulfonyl-4-piperidinyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [1-(2-chloro-5-nitrophenyl)sulfonylpiperidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [1-(2-chloro-5-nitro-phenyl)sulfonyl-4-piperidyl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C20H23ClN6O5S MolecularWeight: 494.95182

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCN(CC2)C3=NC=CC=N3)S(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN(CCC1C(=O)N2CCN(CC2)C3=NC=CC=N3)S(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H23ClN6O5S/c21-17-3-2-16(27(29)30)14-18(17)33(31,32)26-8-4-15(5-9-26)19(28)24-10-12-25(13-11-24)20-22-6-1-7-23-20/h1-3,6-7,14-15H,4-5,8-13H2