(2S)-1-[[1-(3-bromophenyl)sulfonylpiperidin-4-yl]methylamino]-3-(4-phenylmethoxyphenoxy)propan-2-ol

Systemtic Name: (2S)-1-[[1-(3-bromophenyl)sulfonylpiperidin-4-yl]methylamino]-3-(4-phenylmethoxyphenoxy)propan-2-ol Openeye Name: (2S)-1-(4-benzyloxyphenoxy)-3-[[1-(3-bromophenyl)sulfonyl-4-piperidyl]methylamino]propan-2-ol CAS Name: (2S)-1-[[1-(3-bromophenyl)sulfonyl-4-piperidinyl]methylamino]-3-(4-phenylmethoxyphenoxy)-2-propanol IUPAC Name: (2S)-1-[[1-(3-bromophenyl)sulfonylpiperidin-4-yl]methylamino]-3-(4-phenylmethoxyphenoxy)propan-2-ol Traditional Name: (2S)-1-(4-benzoxyphenoxy)-3-[[1-(3-bromophenyl)sulfonyl-4-piperidyl]methylamino]propan-2-ol Formula: C28H33BrN2O5S MolecularWeight: 589.54102

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CNCC(COC2=CC=C(C=C2)OCC3=CC=CC=C3)O)S(=O)(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

C1CN(CCC1CNC[C@@H](COC2=CC=C(C=C2)OCC3=CC=CC=C3)O)S(=O)(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C28H33BrN2O5S/c29-24-7-4-8-28(17-24)37(33,34)31-15-13-22(14-16-31)18-30-19-25(32)21-36-27-11-9-26(10-12-27)35-20-23-5-2-1-3-6-23/h1-12,17,22,25,30,32H,13-16,18-21H2/t25-/m0/s1