N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1-(3,4-dimethylphenyl)sulfonyl-N-methyl-piperidine-4-carboxamide

Systemtic Name: N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1-(3,4-dimethylphenyl)sulfonyl-N-methyl-piperidine-4-carboxamide Openeye Name: N-[(2-chloro-6-fluoro-phenyl)methyl]-1-(3,4-dimethylphenyl)sulfonyl-N-methyl-piperidine-4-carboxamide CAS Name: N-[(2-chloro-6-fluorophenyl)methyl]-1-(3,4-dimethylphenyl)sulfonyl-N-methyl-4-piperidinecarboxamide IUPAC Name: N-[(2-chloro-6-fluorophenyl)methyl]-1-(3,4-dimethylphenyl)sulfonyl-N-methylpiperidine-4-carboxamide Traditional Name: N-(2-chloro-6-fluoro-benzyl)-1-(3,4-dimethylphenyl)sulfonyl-N-methyl-isonipecotamide Formula: C22H26ClFN2O3S MolecularWeight: 452.969843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N(C)CC3=C(C=CC=C3Cl)F)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N(C)CC3=C(C=CC=C3Cl)F)C

InChI

InChI=1S/C22H26ClFN2O3S/c1-15-7-8-18(13-16(15)2)30(28,29)26-11-9-17(10-12-26)22(27)25(3)14-19-20(23)5-4-6-21(19)24/h4-8,13,17H,9-12,14H2,1-3H3