(2R)-1-[2-methoxy-4-[(pyridin-3-ylmethylamino)methyl]phenoxy]-3-thiomorpholin-4-yl-propan-2-ol

Systemtic Name: (2R)-1-[2-methoxy-4-[(pyridin-3-ylmethylamino)methyl]phenoxy]-3-thiomorpholin-4-yl-propan-2-ol Openeye Name: (2R)-1-[2-methoxy-4-[(3-pyridylmethylamino)methyl]phenoxy]-3-thiomorpholino-propan-2-ol CAS Name: (2R)-1-[2-methoxy-4-[(3-pyridinylmethylamino)methyl]phenoxy]-3-thiomorpholin-4-yl-2-propanol IUPAC Name: (2R)-1-[2-methoxy-4-[(pyridin-3-ylmethylamino)methyl]phenoxy]-3-thiomorpholin-4-ylpropan-2-ol Traditional Name: (2R)-1-[2-methoxy-4-[(3-pyridylmethylamino)methyl]phenoxy]-3-thiomorpholino-propan-2-ol Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNCC2=CN=CC=C2)OCC(CN3CCSCC3)O

Isomeric SMILES

COC1=C(C=CC(=C1)CNCC2=CN=CC=C2)OC[C@@H](CN3CCSCC3)O

InChI

InChI=1S/C21H29N3O3S/c1-26-21-11-17(12-23-14-18-3-2-6-22-13-18)4-5-20(21)27-16-19(25)15-24-7-9-28-10-8-24/h2-6,11,13,19,23,25H,7-10,12,14-16H2,1H3/t19-/m1/s1