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

Systemtic Name: N-[1-[(3-chloranylphenoxy)methyl]pyrazol-4-yl]-3-nitro-benzenesulfonamide Openeye Name: N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-3-nitro-benzenesulfonamide CAS Name: N-[1-[(3-chlorophenoxy)methyl]-4-pyrazolyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-3-nitrobenzenesulfonamide Traditional Name: N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-3-nitro-benzenesulfonamide Formula: C16H13ClN4O5S MolecularWeight: 408.81622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)NC2=CN(N=C2)COC3=CC(=CC=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)NC2=CN(N=C2)COC3=CC(=CC=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H13ClN4O5S/c17-12-3-1-5-15(7-12)26-11-20-10-13(9-18-20)19-27(24,25)16-6-2-4-14(8-16)21(22)23/h1-10,19H,11H2