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

Systemtic Name: N-[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-4-nitro-benzenesulfonamide Openeye Name: N-[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-4-nitro-benzenesulfonamide CAS Name: N-[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-nitrobenzenesulfonamide Traditional Name: N-[1-(2-chlorobenzyl)-3,5-dimethyl-pyrazol-4-yl]-4-nitro-benzenesulfonamide Formula: C18H17ClN4O4S MolecularWeight: 420.86998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17ClN4O4S/c1-12-18(13(2)22(20-12)11-14-5-3-4-6-17(14)19)21-28(26,27)16-9-7-15(8-10-16)23(24)25/h3-10,21H,11H2,1-2H3