(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (1-butyl-5-chloro-3-methyl-pyrazol-4-yl)-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (1-butyl-5-chloro-3-methyl-4-pyrazolyl)-[4-(4-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (1-butyl-5-chloro-3-methylpyrazol-4-yl)-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (1-butyl-5-chloro-3-methyl-pyrazol-4-yl)-(4-nosylpiperazino)methanone Formula: C19H24ClN5O5S MolecularWeight: 469.94236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H24ClN5O5S/c1-3-4-9-24-18(20)17(14(2)21-24)19(26)22-10-12-23(13-11-22)31(29,30)16-7-5-15(6-8-16)25(27)28/h5-8H,3-4,9-13H2,1-2H3