3-(2-methylphenoxy)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 3-(2-methylphenoxy)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(2-methylphenoxy)-1-[4-[(E)-styryl]sulfonylpiperazin-1-yl]propan-1-one CAS Name: 3-(2-methylphenoxy)-1-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 3-(2-methylphenoxy)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-(2-methylphenoxy)-1-[4-[(E)-styryl]sulfonylpiperazino]propan-1-one Formula: C22H26N2O4S MolecularWeight: 414.51784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCC(=O)N2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1OCCC(=O)N2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H26N2O4S/c1-19-7-5-6-10-21(19)28-17-11-22(25)23-13-15-24(16-14-23)29(26,27)18-12-20-8-3-2-4-9-20/h2-10,12,18H,11,13-17H2,1H3/b18-12+