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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)N3C4=C(C=C(C=C4)F)N=N3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)N3C4=C(C=C(C=C4)F)N=N3)Cl

InChI

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