N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-nitro-benzenesulfonamide Openeye Name: N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-nitro-benzenesulfonamide CAS Name: N-[3-[(3,5-dimethyl-1-pyrazolyl)methyl]phenyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-nitrobenzenesulfonamide Traditional Name: N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-nitro-benzenesulfonamide Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1CC2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])C

InChI

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