[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]-(4-methylsulfonylpiperazin-1-yl)methanone

Systemtic Name: [4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]-(4-methylsulfonylpiperazin-1-yl)methanone Openeye Name: [4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]-(4-methylsulfonylpiperazin-1-yl)methanone CAS Name: [4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]phenyl]-(4-methylsulfonyl-1-piperazinyl)methanone IUPAC Name: [4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]phenyl]-(4-methylsulfonylpiperazin-1-yl)methanone Traditional Name: [4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]-(4-mesylpiperazino)methanone Formula: C18H23N5O5S MolecularWeight: 421.47072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H23N5O5S/c1-13-17(23(25)26)14(2)22(19-13)12-15-4-6-16(7-5-15)18(24)20-8-10-21(11-9-20)29(3,27)28/h4-7H,8-12H2,1-3H3