(2R)-2-phenoxy-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]butan-1-one

Systemtic Name: (2R)-2-phenoxy-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]butan-1-one Openeye Name: (2R)-2-phenoxy-1-[4-[(E)-styryl]sulfonylpiperazin-1-yl]butan-1-one CAS Name: (2R)-2-phenoxy-1-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]-1-butanone IUPAC Name: (2R)-2-phenoxy-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]butan-1-one Traditional Name: (2R)-2-phenoxy-1-[4-[(E)-styryl]sulfonylpiperazino]butan-1-one Formula: C22H26N2O4S MolecularWeight: 414.51784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCN(CC1)S(=O)(=O)C=CC2=CC=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CC[C@H](C(=O)N1CCN(CC1)S(=O)(=O)/C=C/C2=CC=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C22H26N2O4S/c1-2-21(28-20-11-7-4-8-12-20)22(25)23-14-16-24(17-15-23)29(26,27)18-13-19-9-5-3-6-10-19/h3-13,18,21H,2,14-17H2,1H3/b18-13+/t21-/m1/s1