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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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