1-[1-(3-chloranyl-2-methyl-phenyl)sulfonylpiperidin-4-yl]-5-fluoranyl-benzotriazole

Systemtic Name: 1-[1-(3-chloranyl-2-methyl-phenyl)sulfonylpiperidin-4-yl]-5-fluoranyl-benzotriazole Openeye Name: 1-[1-(3-chloro-2-methyl-phenyl)sulfonyl-4-piperidyl]-5-fluoro-benzotriazole CAS Name: 1-[1-(3-chloro-2-methylphenyl)sulfonyl-4-piperidinyl]-5-fluorobenzotriazole IUPAC Name: 1-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]-5-fluorobenzotriazole Traditional Name: 1-[1-(3-chloro-2-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=CC=C1Cl)S(=O)(=O)N2CCC(CC2)N3C4=C(C=C(C=C4)F)N=N3

Isomeric SMILES

CC1=C(C=CC=C1Cl)S(=O)(=O)N2CCC(CC2)N3C4=C(C=C(C=C4)F)N=N3

InChI

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