N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-nitro-benzenesulfonamide Openeye Name: 2-nitro-N-[1-(p-tolylmethyl)pyrazol-3-yl]benzenesulfonamide CAS Name: N-[1-[(4-methylphenyl)methyl]-3-pyrazolyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-nitrobenzenesulfonamide Traditional Name: N-[1-(4-methylbenzyl)pyrazol-3-yl]-2-nitro-benzenesulfonamide Formula: C17H16N4O4S MolecularWeight: 372.39834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O4S/c1-13-6-8-14(9-7-13)12-20-11-10-17(18-20)19-26(24,25)16-5-3-2-4-15(16)21(22)23/h2-11H,12H2,1H3,(H,18,19)