N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-2-methoxy-5-nitro-benzenesulfonamide

Systemtic Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-2-methoxy-5-nitro-benzenesulfonamide Openeye Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-2-methoxy-5-nitro-benzenesulfonamide CAS Name: N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-2-methoxy-5-nitrobenzenesulfonamide IUPAC Name: N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-methoxy-5-nitrobenzenesulfonamide Traditional Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-2-methoxy-5-nitro-benzenesulfonamide Formula: C19H20N4O5S MolecularWeight: 416.4509

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CNS(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNS(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C19H20N4O5S/c1-13-17(14(2)22(21-13)15-7-5-4-6-8-15)12-20-29(26,27)19-11-16(23(24)25)9-10-18(19)28-3/h4-11,20H,12H2,1-3H3