3-(4-methylphenyl)sulfonyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide

Systemtic Name: 3-(4-methylphenyl)sulfonyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: 3-(p-tolylsulfonyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide CAS Name: 3-(4-methylphenyl)sulfonyl-N-[[2-(1-pyrazolylmethyl)phenyl]methyl]propanamide IUPAC Name: 3-(4-methylphenyl)sulfonyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: N-[2-(pyrazol-1-ylmethyl)benzyl]-3-tosyl-propionamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NCC2=CC=CC=C2CN3C=CC=N3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NCC2=CC=CC=C2CN3C=CC=N3

InChI

InChI=1S/C21H23N3O3S/c1-17-7-9-20(10-8-17)28(26,27)14-11-21(25)22-15-18-5-2-3-6-19(18)16-24-13-4-12-23-24/h2-10,12-13H,11,14-16H2,1H3,(H,22,25)