N-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-2-propylsulfonyl-benzamide

Systemtic Name: N-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-2-propylsulfonyl-benzamide Openeye Name: N-[(1-benzyl-3-phenyl-pyrazol-4-yl)methyl]-2-propylsulfonyl-benzamide CAS Name: N-[[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-2-propylsulfonylbenzamide IUPAC Name: N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-propylsulfonylbenzamide Traditional Name: N-[(1-benzyl-3-phenyl-pyrazol-4-yl)methyl]-2-propylsulfonyl-benzamide Formula: C27H27N3O3S MolecularWeight: 473.58658

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=CC=CC=C1C(=O)NCC2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCCS(=O)(=O)C1=CC=CC=C1C(=O)NCC2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C27H27N3O3S/c1-2-17-34(32,33)25-16-10-9-15-24(25)27(31)28-18-23-20-30(19-21-11-5-3-6-12-21)29-26(23)22-13-7-4-8-14-22/h3-16,20H,2,17-19H2,1H3,(H,28,31)