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

Systemtic Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-N,2,3-trimethyl-5-nitro-benzenesulfonamide Openeye Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-N,2,3-trimethyl-5-nitro-benzenesulfonamide CAS Name: N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-N,2,3-trimethyl-5-nitrobenzenesulfonamide IUPAC Name: N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,2,3-trimethyl-5-nitrobenzenesulfonamide Traditional Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-N,2,3-trimethyl-5-nitro-benzenesulfonamide Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)N(C)CC2=C(N(N=C2C)C3=CC=CC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)N(C)CC2=C(N(N=C2C)C3=CC=CC=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O4S/c1-14-11-19(25(26)27)12-21(15(14)2)30(28,29)23(5)13-20-16(3)22-24(17(20)4)18-9-7-6-8-10-18/h6-12H,13H2,1-5H3