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

Systemtic Name: 4-butyl-N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzenesulfonamide Openeye Name: 4-butyl-N-[3,5-dimethyl-1-(o-tolylmethyl)pyrazol-4-yl]benzenesulfonamide CAS Name: 4-butyl-N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]-4-pyrazolyl]benzenesulfonamide IUPAC Name: 4-butyl-N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzenesulfonamide Traditional Name: 4-butyl-N-[3,5-dimethyl-1-(2-methylbenzyl)pyrazol-4-yl]benzenesulfonamide Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)NC2=C(N(N=C2C)CC3=CC=CC=C3C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)NC2=C(N(N=C2C)CC3=CC=CC=C3C)C

InChI

InChI=1S/C23H29N3O2S/c1-5-6-10-20-12-14-22(15-13-20)29(27,28)25-23-18(3)24-26(19(23)4)16-21-11-8-7-9-17(21)2/h7-9,11-15,25H,5-6,10,16H2,1-4H3