[6-[4-[[3-(3-methylsulfinyl-4-phenylmethoxy-phenoxy)-2-oxidanyl-propyl]amino]piperidin-1-yl]pyridin-3-yl]-piperidin-1-yl-methanone

Systemtic Name: [6-[4-[[3-(3-methylsulfinyl-4-phenylmethoxy-phenoxy)-2-oxidanyl-propyl]amino]piperidin-1-yl]pyridin-3-yl]-piperidin-1-yl-methanone Openeye Name: [6-[4-[[3-(4-benzyloxy-3-methylsulfinyl-phenoxy)-2-hydroxy-propyl]amino]-1-piperidyl]-3-pyridyl]-(1-piperidyl)methanone CAS Name: [6-[4-[[2-hydroxy-3-(3-methylsulfinyl-4-phenylmethoxyphenoxy)propyl]amino]-1-piperidinyl]-3-pyridinyl]-(1-piperidinyl)methanone IUPAC Name: [6-[4-[[2-hydroxy-3-(3-methylsulfinyl-4-phenylmethoxyphenoxy)propyl]amino]piperidin-1-yl]pyridin-3-yl]-piperidin-1-ylmethanone Traditional Name: [6-[4-[[3-(4-benzoxy-3-methylsulfinyl-phenoxy)-2-hydroxy-propyl]amino]piperidino]-3-pyridyl]-piperidino-methanone Formula: C33H42N4O5S MolecularWeight: 606.77538

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)C1=C(C=CC(=C1)OCC(CNC2CCN(CC2)C3=NC=C(C=C3)C(=O)N4CCCCC4)O)OCC5=CC=CC=C5

Isomeric SMILES

CS(=O)C1=C(C=CC(=C1)OCC(CNC2CCN(CC2)C3=NC=C(C=C3)C(=O)N4CCCCC4)O)OCC5=CC=CC=C5

InChI

InChI=1S/C33H42N4O5S/c1-43(40)31-20-29(11-12-30(31)42-23-25-8-4-2-5-9-25)41-24-28(38)22-34-27-14-18-36(19-15-27)32-13-10-26(21-35-32)33(39)37-16-6-3-7-17-37/h2,4-5,8-13,20-21,27-28,34,38H,3,6-7,14-19,22-24H2,1H3