N-[(1-methylpyrazol-3-yl)methyl]-4-nitro-N-phenethyl-benzenesulfonamide

Systemtic Name: N-[(1-methylpyrazol-3-yl)methyl]-4-nitro-N-phenethyl-benzenesulfonamide Openeye Name: N-[(1-methylpyrazol-3-yl)methyl]-4-nitro-N-phenethyl-benzenesulfonamide CAS Name: N-[(1-methyl-3-pyrazolyl)methyl]-4-nitro-N-phenethylbenzenesulfonamide IUPAC Name: N-[(1-methylpyrazol-3-yl)methyl]-4-nitro-N-phenethylbenzenesulfonamide Traditional Name: N-[(1-methylpyrazol-3-yl)methyl]-4-nitro-N-phenethyl-benzenesulfonamide Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)CN(CCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C=CC(=N1)CN(CCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O4S/c1-21-13-12-17(20-21)15-22(14-11-16-5-3-2-4-6-16)28(26,27)19-9-7-18(8-10-19)23(24)25/h2-10,12-13H,11,14-15H2,1H3