N-(2-ethyl-6-methyl-phenyl)-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide CAS Name: N-(2-ethyl-6-methylphenyl)-1-[(2-fluorophenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-1-(2-fluorobenzyl)sulfonyl-isonipecotamide Formula: C22H27FN2O3S MolecularWeight: 418.524783

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3F)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3F)C

InChI

InChI=1S/C22H27FN2O3S/c1-3-17-9-6-7-16(2)21(17)24-22(26)18-11-13-25(14-12-18)29(27,28)15-19-8-4-5-10-20(19)23/h4-10,18H,3,11-15H2,1-2H3,(H,24,26)