N-methyl-4-methylsulfonyl-2-nitro-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]aniline

Systemtic Name: N-methyl-4-methylsulfonyl-2-nitro-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]aniline Openeye Name: N-methyl-4-methylsulfonyl-2-nitro-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]aniline CAS Name: N-methyl-4-methylsulfonyl-2-nitro-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]aniline IUPAC Name: N-methyl-4-methylsulfonyl-2-nitro-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]aniline Traditional Name: (4-mesyl-2-nitro-phenyl)-methyl-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]amine Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCCC1=CC(=NN1)C2=CC=CC=C2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CN(CCCCCC1=CC(=NN1)C2=CC=CC=C2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O4S/c1-25(21-13-12-19(31(2,29)30)16-22(21)26(27)28)14-8-4-7-11-18-15-20(24-23-18)17-9-5-3-6-10-17/h3,5-6,9-10,12-13,15-16H,4,7-8,11,14H2,1-2H3,(H,23,24)