1-[(E)-3-phenylprop-2-enyl]-4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)piperazine

Systemtic Name: 1-[(E)-3-phenylprop-2-enyl]-4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)piperazine Openeye Name: 1-[(E)-cinnamyl]-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)piperazine CAS Name: 1-[(E)-3-phenylprop-2-enyl]-4-[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]piperazine IUPAC Name: 1-[(E)-3-phenylprop-2-enyl]-4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)piperazine Traditional Name: 1-[(E)-cinnamyl]-4-(5-pyrrolidinosulfonyl-2-pyridyl)piperazine Formula: C22H28N4O2S MolecularWeight: 412.54832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)N3CCN(CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)N3CCN(CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C22H28N4O2S/c27-29(28,26-13-4-5-14-26)21-10-11-22(23-19-21)25-17-15-24(16-18-25)12-6-9-20-7-2-1-3-8-20/h1-3,6-11,19H,4-5,12-18H2/b9-6+