N-[(3-fluoranyl-4-methyl-phenyl)methyl]-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxy-ethanamide

Systemtic Name: N-[(3-fluoranyl-4-methyl-phenyl)methyl]-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxy-ethanamide Openeye Name: N-[(3-fluoro-4-methyl-phenyl)methyl]-2-(6-morpholinosulfonylbenzotriazol-1-yl)oxy-acetamide CAS Name: N-[(3-fluoro-4-methylphenyl)methyl]-2-[[6-(4-morpholinylsulfonyl)-1-benzotriazolyl]oxy]acetamide IUPAC Name: N-[(3-fluoro-4-methylphenyl)methyl]-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyacetamide Traditional Name: N-(3-fluoro-4-methyl-benzyl)-2-(6-morpholinosulfonylbenzotriazol-1-yl)oxy-acetamide Formula: C20H22FN5O5S MolecularWeight: 463.482583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=O)CON2C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)N=N2)F

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(=O)CON2C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)N=N2)F

InChI

InChI=1S/C20H22FN5O5S/c1-14-2-3-15(10-17(14)21)12-22-20(27)13-31-26-19-11-16(4-5-18(19)23-24-26)32(28,29)25-6-8-30-9-7-25/h2-5,10-11H,6-9,12-13H2,1H3,(H,22,27)