N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-nitro-benzenesulfonamide Openeye Name: N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-nitro-benzenesulfonamide CAS Name: N-[1-[(2-chlorophenyl)methyl]-4-pyrazolyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-nitrobenzenesulfonamide Traditional Name: N-[1-(2-chlorobenzyl)pyrazol-4-yl]-2-nitro-benzenesulfonamide Formula: C16H13ClN4O4S MolecularWeight: 392.81682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C=C(C=N2)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C(=C1)CN2C=C(C=N2)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])Cl

InChI

InChI=1S/C16H13ClN4O4S/c17-14-6-2-1-5-12(14)10-20-11-13(9-18-20)19-26(24,25)16-8-4-3-7-15(16)21(22)23/h1-9,11,19H,10H2