[4-[(4-chloranyl-3-nitro-pyrazol-1-yl)methyl]phenyl]-(4-ethylsulfonylpiperazin-1-yl)methanone

Systemtic Name: [4-[(4-chloranyl-3-nitro-pyrazol-1-yl)methyl]phenyl]-(4-ethylsulfonylpiperazin-1-yl)methanone Openeye Name: [4-[(4-chloro-3-nitro-pyrazol-1-yl)methyl]phenyl]-(4-ethylsulfonylpiperazin-1-yl)methanone CAS Name: [4-[(4-chloro-3-nitro-1-pyrazolyl)methyl]phenyl]-(4-ethylsulfonyl-1-piperazinyl)methanone IUPAC Name: [4-[(4-chloro-3-nitropyrazol-1-yl)methyl]phenyl]-(4-ethylsulfonylpiperazin-1-yl)methanone Traditional Name: [4-[(4-chloro-3-nitro-pyrazol-1-yl)methyl]phenyl]-(4-esylpiperazino)methanone Formula: C17H20ClN5O5S MolecularWeight: 441.8892

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CN3C=C(C(=N3)[N+](=O)[O-])Cl

Isomeric SMILES

CCS(=O)(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CN3C=C(C(=N3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H20ClN5O5S/c1-2-29(27,28)22-9-7-20(8-10-22)17(24)14-5-3-13(4-6-14)11-21-12-15(18)16(19-21)23(25)26/h3-6,12H,2,7-11H2,1H3