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

Systemtic Name: N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-4-nitro-benzenesulfonamide Openeye Name: N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-4-nitro-benzenesulfonamide CAS Name: N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-nitrobenzenesulfonamide Traditional Name: N-[1-(3,4-dichlorobenzyl)-3,5-dimethyl-pyrazol-4-yl]-4-nitro-benzenesulfonamide Formula: C18H16Cl2N4O4S MolecularWeight: 455.31504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16Cl2N4O4S/c1-11-18(22-29(27,28)15-6-4-14(5-7-15)24(25)26)12(2)23(21-11)10-13-3-8-16(19)17(20)9-13/h3-9,22H,10H2,1-2H3