2-[(3-fluoranyl-4-methoxy-phenyl)methyl-methyl-amino]-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-[(3-fluoranyl-4-methoxy-phenyl)methyl-methyl-amino]-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-[(3-fluoro-4-methoxy-phenyl)methyl-methyl-amino]ethanone CAS Name: 2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]ethanone Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-[(3-fluoro-4-methoxy-benzyl)-methyl-amino]ethanone Formula: C22H28FN3O4S MolecularWeight: 449.538823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28FN3O4S/c1-24(15-19-8-9-21(30-2)20(23)14-19)16-22(27)25-10-12-26(13-11-25)31(28,29)17-18-6-4-3-5-7-18/h3-9,14H,10-13,15-17H2,1-2H3