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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)NCC2=CN(N=C2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)NCC2=CN(N=C2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

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