N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-nitro-benzenesulfonamide

Systemtic Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-nitro-benzenesulfonamide Openeye Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-nitro-benzenesulfonamide CAS Name: N-[(1,3-diphenyl-4-pyrazolyl)methyl]-N-methyl-2-nitrobenzenesulfonamide IUPAC Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-nitrobenzenesulfonamide Traditional Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-nitro-benzenesulfonamide Formula: C23H20N4O4S MolecularWeight: 448.4943

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C23H20N4O4S/c1-25(32(30,31)22-15-9-8-14-21(22)27(28)29)16-19-17-26(20-12-6-3-7-13-20)24-23(19)18-10-4-2-5-11-18/h2-15,17H,16H2,1H3