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

Systemtic Name: N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4-propyl-benzenesulfonamide Openeye Name: N-[3,5-dimethyl-1-(o-tolylmethyl)pyrazol-4-yl]-4-propyl-benzenesulfonamide CAS Name: N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]-4-pyrazolyl]-4-propylbenzenesulfonamide IUPAC Name: N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4-propylbenzenesulfonamide Traditional Name: N-[3,5-dimethyl-1-(2-methylbenzyl)pyrazol-4-yl]-4-propyl-benzenesulfonamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)NC2=C(N(N=C2C)CC3=CC=CC=C3C)C

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)NC2=C(N(N=C2C)CC3=CC=CC=C3C)C

InChI

InChI=1S/C22H27N3O2S/c1-5-8-19-11-13-21(14-12-19)28(26,27)24-22-17(3)23-25(18(22)4)15-20-10-7-6-9-16(20)2/h6-7,9-14,24H,5,8,15H2,1-4H3