2-nitro-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide

Systemtic Name: 2-nitro-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide Openeye Name: 2-nitro-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide CAS Name: 2-nitro-N-[[4-(1-pyrazolyl)phenyl]methyl]benzenesulfonamide IUPAC Name: 2-nitro-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide Traditional Name: 2-nitro-N-(4-pyrazol-1-ylbenzyl)benzenesulfonamide Formula: C16H14N4O4S MolecularWeight: 358.37176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)NCC2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)NCC2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C16H14N4O4S/c21-20(22)15-4-1-2-5-16(15)25(23,24)18-12-13-6-8-14(9-7-13)19-11-3-10-17-19/h1-11,18H,12H2