(2S)-2-(4-bromanylphenoxy)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: (2S)-2-(4-bromanylphenoxy)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: (2S)-1-(4-benzylsulfonylpiperazin-1-yl)-2-(4-bromophenoxy)propan-1-one CAS Name: (2S)-2-(4-bromophenoxy)-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: (2S)-1-(4-benzylsulfonylpiperazin-1-yl)-2-(4-bromophenoxy)propan-1-one Traditional Name: (2S)-1-(4-benzylsulfonylpiperazino)-2-(4-bromophenoxy)propan-1-one Formula: C20H23BrN2O4S MolecularWeight: 467.37662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)N1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2)OC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H23BrN2O4S/c1-16(27-19-9-7-18(21)8-10-19)20(24)22-11-13-23(14-12-22)28(25,26)15-17-5-3-2-4-6-17/h2-10,16H,11-15H2,1H3/t16-/m0/s1