1-[[1-[5-(2-methylsulfanylpyrimidin-4-yl)thiophen-2-yl]sulfonylpiperidin-4-yl]methylamino]-3-(4-phenylmethoxyphenoxy)propan-2-ol

Systemtic Name: 1-[[1-[5-(2-methylsulfanylpyrimidin-4-yl)thiophen-2-yl]sulfonylpiperidin-4-yl]methylamino]-3-(4-phenylmethoxyphenoxy)propan-2-ol Openeye Name: 1-(4-benzyloxyphenoxy)-3-[[1-[[5-(2-methylsulfanylpyrimidin-4-yl)-2-thienyl]sulfonyl]-4-piperidyl]methylamino]propan-2-ol CAS Name: 1-[[1-[[5-[2-(methylthio)-4-pyrimidinyl]-2-thiophenyl]sulfonyl]-4-piperidinyl]methylamino]-3-(4-phenylmethoxyphenoxy)-2-propanol IUPAC Name: 1-[[1-[5-(2-methylsulfanylpyrimidin-4-yl)thiophen-2-yl]sulfonylpiperidin-4-yl]methylamino]-3-(4-phenylmethoxyphenoxy)propan-2-ol Traditional Name: 1-(4-benzoxyphenoxy)-3-[[1-[[5-[2-(methylthio)pyrimidin-4-yl]-2-thienyl]sulfonyl]-4-piperidyl]methylamino]propan-2-ol Formula: C31H36N4O5S3 MolecularWeight: 640.83634

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=CC(=N1)C2=CC=C(S2)S(=O)(=O)N3CCC(CC3)CNCC(COC4=CC=C(C=C4)OCC5=CC=CC=C5)O

Isomeric SMILES

CSC1=NC=CC(=N1)C2=CC=C(S2)S(=O)(=O)N3CCC(CC3)CNCC(COC4=CC=C(C=C4)OCC5=CC=CC=C5)O

InChI

InChI=1S/C31H36N4O5S3/c1-41-31-33-16-13-28(34-31)29-11-12-30(42-29)43(37,38)35-17-14-23(15-18-35)19-32-20-25(36)22-40-27-9-7-26(8-10-27)39-21-24-5-3-2-4-6-24/h2-13,16,23,25,32,36H,14-15,17-22H2,1H3