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

Systemtic Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-2-methyl-5-nitro-benzenesulfonamide Openeye Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-2-methyl-5-nitro-benzenesulfonamide CAS Name: N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-methyl-5-nitrobenzenesulfonamide Traditional Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-2-methyl-5-nitro-benzenesulfonamide Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCC2=C(N(N=C2C)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCC2=C(N(N=C2C)C3=CC=CC=C3)C

InChI

InChI=1S/C19H20N4O4S/c1-13-9-10-17(23(24)25)11-19(13)28(26,27)20-12-18-14(2)21-22(15(18)3)16-7-5-4-6-8-16/h4-11,20H,12H2,1-3H3