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

Systemtic Name: N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-3-nitro-benzenesulfonamide Openeye Name: N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-3-nitro-benzenesulfonamide CAS Name: N-[1-[(4-bromophenyl)methyl]-4-pyrazolyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-3-nitrobenzenesulfonamide Traditional Name: N-[1-(4-bromobenzyl)pyrazol-4-yl]-3-nitro-benzenesulfonamide Formula: C16H13BrN4O4S MolecularWeight: 437.26782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)NC2=CN(N=C2)CC3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)NC2=CN(N=C2)CC3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C16H13BrN4O4S/c17-13-6-4-12(5-7-13)10-20-11-14(9-18-20)19-26(24,25)16-3-1-2-15(8-16)21(22)23/h1-9,11,19H,10H2