1-[(3-fluoranyl-4-methoxy-phenyl)methoxy]-6-piperidin-1-ylsulfonyl-benzotriazole

Systemtic Name: 1-[(3-fluoranyl-4-methoxy-phenyl)methoxy]-6-piperidin-1-ylsulfonyl-benzotriazole Openeye Name: 1-[(3-fluoro-4-methoxy-phenyl)methoxy]-6-(1-piperidylsulfonyl)benzotriazole CAS Name: 1-[(3-fluoro-4-methoxyphenyl)methoxy]-6-(1-piperidinylsulfonyl)benzotriazole IUPAC Name: 1-[(3-fluoro-4-methoxyphenyl)methoxy]-6-piperidin-1-ylsulfonylbenzotriazole Traditional Name: 1-(3-fluoro-4-methoxy-benzyl)oxy-6-piperidinosulfonyl-benzotriazole Formula: C19H21FN4O4S MolecularWeight: 420.457843

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CON2C3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)N=N2)F

Isomeric SMILES

COC1=C(C=C(C=C1)CON2C3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)N=N2)F

InChI

InChI=1S/C19H21FN4O4S/c1-27-19-8-5-14(11-16(19)20)13-28-24-18-12-15(6-7-17(18)21-22-24)29(25,26)23-9-3-2-4-10-23/h5-8,11-12H,2-4,9-10,13H2,1H3