4-(phenylmethyl)-1-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]sulfonyl-piperidine

Systemtic Name: 4-(phenylmethyl)-1-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]sulfonyl-piperidine Openeye Name: 4-benzyl-1-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]sulfonyl-piperidine CAS Name: 4-(phenylmethyl)-1-[[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]sulfonyl]piperidine IUPAC Name: 4-benzyl-1-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperidine Traditional Name: 4-benzyl-1-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]sulfonyl-piperidine Formula: C26H27N3O2S2 MolecularWeight: 477.64148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)S(=O)(=O)C3=CN(N=C3C4=CC=CS4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)S(=O)(=O)C3=CN(N=C3C4=CC=CS4)CC5=CC=CC=C5

InChI

InChI=1S/C26H27N3O2S2/c30-33(31,29-15-13-22(14-16-29)18-21-8-3-1-4-9-21)25-20-28(19-23-10-5-2-6-11-23)27-26(25)24-12-7-17-32-24/h1-12,17,20,22H,13-16,18-19H2