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

Systemtic Name: N-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]-2-nitro-benzenesulfonamide Openeye Name: N-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]-2-nitro-benzenesulfonamide CAS Name: N-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]-4-pyrazolyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]-2-nitrobenzenesulfonamide Traditional Name: N-[3,5-dimethyl-1-(3-phenoxybenzyl)pyrazol-4-yl]-2-nitro-benzenesulfonamide Formula: C24H22N4O5S MolecularWeight: 478.52028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC(=CC=C2)OC3=CC=CC=C3)C)NS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC(=CC=C2)OC3=CC=CC=C3)C)NS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C24H22N4O5S/c1-17-24(26-34(31,32)23-14-7-6-13-22(23)28(29)30)18(2)27(25-17)16-19-9-8-12-21(15-19)33-20-10-4-3-5-11-20/h3-15,26H,16H2,1-2H3