1-[1-(4-chloranyl-3-fluoranyl-phenyl)sulfonylpiperidin-4-yl]-5-methyl-benzotriazole

Systemtic Name: 1-[1-(4-chloranyl-3-fluoranyl-phenyl)sulfonylpiperidin-4-yl]-5-methyl-benzotriazole Openeye Name: 1-[1-(4-chloro-3-fluoro-phenyl)sulfonyl-4-piperidyl]-5-methyl-benzotriazole CAS Name: 1-[1-(4-chloro-3-fluorophenyl)sulfonyl-4-piperidinyl]-5-methylbenzotriazole IUPAC Name: 1-[1-(4-chloro-3-fluorophenyl)sulfonylpiperidin-4-yl]-5-methylbenzotriazole Traditional Name: 1-[1-(4-chloro-3-fluoro-phenyl)sulfonyl-4-piperidyl]-5-methyl-benzotriazole Formula: C18H18ClFN4O2S MolecularWeight: 408.877523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(N=N2)C3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)Cl)F

Isomeric SMILES

CC1=CC2=C(C=C1)N(N=N2)C3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)Cl)F

InChI

InChI=1S/C18H18ClFN4O2S/c1-12-2-5-18-17(10-12)21-22-24(18)13-6-8-23(9-7-13)27(25,26)14-3-4-15(19)16(20)11-14/h2-5,10-11,13H,6-9H2,1H3