N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-3-nitro-benzenesulfonamide Openeye Name: N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-3-nitro-benzenesulfonamide CAS Name: N-[1-[(3-chlorophenyl)methyl]-4-pyrazolyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-3-nitrobenzenesulfonamide Traditional Name: N-[1-(3-chlorobenzyl)pyrazol-4-yl]-3-nitro-benzenesulfonamide Formula: C16H13ClN4O4S MolecularWeight: 392.81682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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