2,3-dimethyl-5-nitro-N-[3-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide

Systemtic Name: 2,3-dimethyl-5-nitro-N-[3-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide Openeye Name: 2,3-dimethyl-5-nitro-N-[3-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide CAS Name: 2,3-dimethyl-5-nitro-N-[3-(1-pyrazolylmethyl)phenyl]benzenesulfonamide IUPAC Name: 2,3-dimethyl-5-nitro-N-[3-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide Traditional Name: 2,3-dimethyl-5-nitro-N-[3-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)NC2=CC=CC(=C2)CN3C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)NC2=CC=CC(=C2)CN3C=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O4S/c1-13-9-17(22(23)24)11-18(14(13)2)27(25,26)20-16-6-3-5-15(10-16)12-21-8-4-7-19-21/h3-11,20H,12H2,1-2H3