N-(5-chloranyl-2-methyl-phenyl)-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide

Systemtic Name: N-(5-chloranyl-2-methyl-phenyl)-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-(5-chloro-2-methyl-phenyl)-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide CAS Name: N-(5-chloro-2-methylphenyl)-1-[(2-fluorophenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-(5-chloro-2-methylphenyl)-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-(5-chloro-2-methyl-phenyl)-1-(2-fluorobenzyl)sulfonyl-isonipecotamide Formula: C20H22ClFN2O3S MolecularWeight: 424.916683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3F

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3F

InChI

InChI=1S/C20H22ClFN2O3S/c1-14-6-7-17(21)12-19(14)23-20(25)15-8-10-24(11-9-15)28(26,27)13-16-4-2-3-5-18(16)22/h2-7,12,15H,8-11,13H2,1H3,(H,23,25)