2-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-5-piperidin-1-ylsulfonyl-1,3-benzoxazole

Systemtic Name: 2-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-5-piperidin-1-ylsulfonyl-1,3-benzoxazole Openeye Name: 2-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-5-(1-piperidylsulfonyl)-1,3-benzoxazole CAS Name: 2-[(3-fluoro-4-methoxyphenyl)methylthio]-5-(1-piperidinylsulfonyl)-1,3-benzoxazole IUPAC Name: 2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-5-piperidin-1-ylsulfonyl-1,3-benzoxazole Traditional Name: 2-[(3-fluoro-4-methoxy-benzyl)thio]-5-piperidinosulfonyl-1,3-benzoxazole Formula: C20H21FN2O4S2 MolecularWeight: 436.520143

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NC3=C(O2)C=CC(=C3)S(=O)(=O)N4CCCCC4)F

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NC3=C(O2)C=CC(=C3)S(=O)(=O)N4CCCCC4)F

InChI

InChI=1S/C20H21FN2O4S2/c1-26-18-7-5-14(11-16(18)21)13-28-20-22-17-12-15(6-8-19(17)27-20)29(24,25)23-9-3-2-4-10-23/h5-8,11-12H,2-4,9-10,13H2,1H3