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

Systemtic Name: N-[4-bromanyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-3-nitro-benzenesulfonamide Openeye Name: N-[4-bromo-1-(p-tolylmethyl)pyrazol-3-yl]-3-nitro-benzenesulfonamide CAS Name: N-[4-bromo-1-[(4-methylphenyl)methyl]-3-pyrazolyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-3-nitrobenzenesulfonamide Traditional Name: N-[4-bromo-1-(4-methylbenzyl)pyrazol-3-yl]-3-nitro-benzenesulfonamide Formula: C17H15BrN4O4S MolecularWeight: 451.2944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=C(C(=N2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])Br

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=C(C(=N2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C17H15BrN4O4S/c1-12-5-7-13(8-6-12)10-21-11-16(18)17(19-21)20-27(25,26)15-4-2-3-14(9-15)22(23)24/h2-9,11H,10H2,1H3,(H,19,20)