N-(3-chloranyl-2-methyl-phenyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide CAS Name: N-(3-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-(3-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-1-(4-fluorobenzyl)sulfonyl-isonipecotamide Formula: C20H22ClFN2O3S MolecularWeight: 424.916683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=C(C=C3)F

InChI

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