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

Systemtic Name: N-[4-bromanyl-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-nitro-benzenesulfonamide Openeye Name: N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-nitro-benzenesulfonamide CAS Name: N-[4-bromo-1-[(4-chlorophenyl)methyl]-3-pyrazolyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-nitrobenzenesulfonamide Traditional Name: N-[4-bromo-1-(4-chlorobenzyl)pyrazol-3-yl]-3-nitro-benzenesulfonamide Formula: C16H12BrClN4O4S MolecularWeight: 471.71288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)NC2=NN(C=C2Br)CC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)NC2=NN(C=C2Br)CC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H12BrClN4O4S/c17-15-10-21(9-11-4-6-12(18)7-5-11)19-16(15)20-27(25,26)14-3-1-2-13(8-14)22(23)24/h1-8,10H,9H2,(H,19,20)