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

Systemtic Name: N-(4-fluorophenyl)-2-[6-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxy-ethanamide Openeye Name: N-(4-fluorophenyl)-2-[6-[[(3S)-3-methyl-1-piperidyl]sulfonyl]benzotriazol-1-yl]oxy-acetamide CAS Name: N-(4-fluorophenyl)-2-[[6-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-1-benzotriazolyl]oxy]acetamide IUPAC Name: N-(4-fluorophenyl)-2-[6-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxyacetamide Traditional Name: N-(4-fluorophenyl)-2-[6-[(3S)-3-methylpiperidino]sulfonylbenzotriazol-1-yl]oxy-acetamide Formula: C20H22FN5O4S MolecularWeight: 447.483183

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C20H22FN5O4S/c1-14-3-2-10-25(12-14)31(28,29)17-8-9-18-19(11-17)26(24-23-18)30-13-20(27)22-16-6-4-15(21)5-7-16/h4-9,11,14H,2-3,10,12-13H2,1H3,(H,22,27)/t14-/m0/s1