N-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-4-propyl-benzenesulfonamide

Systemtic Name: N-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-4-propyl-benzenesulfonamide Openeye Name: N-[(1-benzyl-3-phenyl-pyrazol-4-yl)methyl]-4-propyl-benzenesulfonamide CAS Name: N-[[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-4-propylbenzenesulfonamide IUPAC Name: N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-4-propylbenzenesulfonamide Traditional Name: N-[(1-benzyl-3-phenyl-pyrazol-4-yl)methyl]-4-propyl-benzenesulfonamide Formula: C26H27N3O2S MolecularWeight: 445.57648

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)NCC2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)NCC2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H27N3O2S/c1-2-9-21-14-16-25(17-15-21)32(30,31)27-18-24-20-29(19-22-10-5-3-6-11-22)28-26(24)23-12-7-4-8-13-23/h3-8,10-17,20,27H,2,9,18-19H2,1H3