N-(3-fluoranyl-4-methyl-phenyl)-2-[6-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxy-ethanamide

Systemtic Name: N-(3-fluoranyl-4-methyl-phenyl)-2-[6-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxy-ethanamide Openeye Name: N-(3-fluoro-4-methyl-phenyl)-2-[6-[[(3S)-3-methyl-1-piperidyl]sulfonyl]benzotriazol-1-yl]oxy-acetamide CAS Name: N-(3-fluoro-4-methylphenyl)-2-[[6-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-1-benzotriazolyl]oxy]acetamide IUPAC Name: N-(3-fluoro-4-methylphenyl)-2-[6-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxyacetamide Traditional Name: N-(3-fluoro-4-methyl-phenyl)-2-[6-[(3S)-3-methylpiperidino]sulfonylbenzotriazol-1-yl]oxy-acetamide Formula: C21H24FN5O4S MolecularWeight: 461.509763

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=NN3OCC(=O)NC4=CC(=C(C=C4)C)F

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=NN3OCC(=O)NC4=CC(=C(C=C4)C)F

InChI

InChI=1S/C21H24FN5O4S/c1-14-4-3-9-26(12-14)32(29,30)17-7-8-19-20(11-17)27(25-24-19)31-13-21(28)23-16-6-5-15(2)18(22)10-16/h5-8,10-11,14H,3-4,9,12-13H2,1-2H3,(H,23,28)/t14-/m0/s1