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

Systemtic Name: N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1-(4-ethoxyphenyl)sulfonyl-N-methyl-piperidine-4-carboxamide Openeye Name: N-[(2-chloro-6-fluoro-phenyl)methyl]-1-(4-ethoxyphenyl)sulfonyl-N-methyl-piperidine-4-carboxamide CAS Name: N-[(2-chloro-6-fluorophenyl)methyl]-1-(4-ethoxyphenyl)sulfonyl-N-methyl-4-piperidinecarboxamide IUPAC Name: N-[(2-chloro-6-fluorophenyl)methyl]-1-(4-ethoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide Traditional Name: N-(2-chloro-6-fluoro-benzyl)-N-methyl-1-p-phenetylsulfonyl-isonipecotamide Formula: C22H26ClFN2O4S MolecularWeight: 468.969243

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N(C)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N(C)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C22H26ClFN2O4S/c1-3-30-17-7-9-18(10-8-17)31(28,29)26-13-11-16(12-14-26)22(27)25(2)15-19-20(23)5-4-6-21(19)24/h4-10,16H,3,11-15H2,1-2H3