N-[1-[(4-chlorophenyl)methyl]-5-methyl-pyrazol-3-yl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[1-[(4-chlorophenyl)methyl]-5-methyl-pyrazol-3-yl]-2-nitro-benzenesulfonamide Openeye Name: N-[1-[(4-chlorophenyl)methyl]-5-methyl-pyrazol-3-yl]-2-nitro-benzenesulfonamide CAS Name: N-[1-[(4-chlorophenyl)methyl]-5-methyl-3-pyrazolyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-nitrobenzenesulfonamide Traditional Name: N-[1-(4-chlorobenzyl)-5-methyl-pyrazol-3-yl]-2-nitro-benzenesulfonamide Formula: C17H15ClN4O4S MolecularWeight: 406.8434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=CC=C(C=C2)Cl)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NN1CC2=CC=C(C=C2)Cl)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H15ClN4O4S/c1-12-10-17(19-21(12)11-13-6-8-14(18)9-7-13)20-27(25,26)16-5-3-2-4-15(16)22(23)24/h2-10H,11H2,1H3,(H,19,20)