N-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-1-(3,5-dimethylpiperidin-1-yl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-1-(3,5-dimethylpiperidin-1-yl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(2-chloro-4-fluoro-phenyl)methyl]-1-[(3,5-dimethyl-1-piperidyl)sulfonyl]piperidine-4-carboxamide CAS Name: N-[(2-chloro-4-fluorophenyl)methyl]-1-[(3,5-dimethyl-1-piperidinyl)sulfonyl]-4-piperidinecarboxamide IUPAC Name: N-[(2-chloro-4-fluorophenyl)methyl]-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(2-chloro-4-fluoro-benzyl)-1-(3,5-dimethylpiperidino)sulfonyl-isonipecotamide Formula: C20H29ClFN3O3S MolecularWeight: 445.978963

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=C(C=C(C=C3)F)Cl)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=C(C=C(C=C3)F)Cl)C

InChI

InChI=1S/C20H29ClFN3O3S/c1-14-9-15(2)13-25(12-14)29(27,28)24-7-5-16(6-8-24)20(26)23-11-17-3-4-18(22)10-19(17)21/h3-4,10,14-16H,5-9,11-13H2,1-2H3,(H,23,26)