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

Systemtic Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-methyl-5-nitro-benzenesulfonamide Openeye Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-methyl-5-nitro-benzenesulfonamide CAS Name: N-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-methyl-5-nitrobenzenesulfonamide Traditional Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-methyl-5-nitro-benzenesulfonamide Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=C(N(N=C2C)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=C(N(N=C2C)C3=CC=CC=C3)C

InChI

InChI=1S/C18H18N4O4S/c1-12-9-10-16(22(23)24)11-17(12)27(25,26)20-18-13(2)19-21(14(18)3)15-7-5-4-6-8-15/h4-11,20H,1-3H3