[4-[(4-chloranyl-3-nitro-pyrazol-1-yl)methyl]phenyl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone

Systemtic Name: [4-[(4-chloranyl-3-nitro-pyrazol-1-yl)methyl]phenyl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone Openeye Name: [4-[(4-chloro-3-nitro-pyrazol-1-yl)methyl]phenyl]-[4-(2-thienylsulfonyl)piperazin-1-yl]methanone CAS Name: [4-[(4-chloro-3-nitro-1-pyrazolyl)methyl]phenyl]-(4-thiophen-2-ylsulfonyl-1-piperazinyl)methanone IUPAC Name: [4-[(4-chloro-3-nitropyrazol-1-yl)methyl]phenyl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone Traditional Name: [4-[(4-chloro-3-nitro-pyrazol-1-yl)methyl]phenyl]-[4-(2-thienylsulfonyl)piperazino]methanone Formula: C19H18ClN5O5S2 MolecularWeight: 495.95972

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=C(C=C2)CN3C=C(C(=N3)[N+](=O)[O-])Cl)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=C(C=C2)CN3C=C(C(=N3)[N+](=O)[O-])Cl)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C19H18ClN5O5S2/c20-16-13-23(21-18(16)25(27)28)12-14-3-5-15(6-4-14)19(26)22-7-9-24(10-8-22)32(29,30)17-2-1-11-31-17/h1-6,11,13H,7-10,12H2