(2-methyl-5-methylsulfonyl-phenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone

Systemtic Name: (2-methyl-5-methylsulfonyl-phenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone Openeye Name: [4-[(E)-cinnamyl]piperazin-1-yl]-(2-methyl-5-methylsulfonyl-phenyl)methanone CAS Name: (2-methyl-5-methylsulfonylphenyl)-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]methanone IUPAC Name: (2-methyl-5-methylsulfonylphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone Traditional Name: [4-[(E)-cinnamyl]piperazino]-(5-mesyl-2-methyl-phenyl)methanone Formula: C22H26N2O3S MolecularWeight: 398.51844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H26N2O3S/c1-18-10-11-20(28(2,26)27)17-21(18)22(25)24-15-13-23(14-16-24)12-6-9-19-7-4-3-5-8-19/h3-11,17H,12-16H2,1-2H3/b9-6+