(3S)-N-(2,6-diethylphenyl)-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(2,6-diethylphenyl)-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(2,6-diethylphenyl)-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-(2,6-diethylphenyl)-1-(4-fluorophenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-(2,6-diethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(2,6-diethylphenyl)-1-(4-fluorophenyl)sulfonyl-nipecotamide Formula: C22H27FN2O3S MolecularWeight: 418.524783

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H27FN2O3S/c1-3-16-7-5-8-17(4-2)21(16)24-22(26)18-9-6-14-25(15-18)29(27,28)20-12-10-19(23)11-13-20/h5,7-8,10-13,18H,3-4,6,9,14-15H2,1-2H3,(H,24,26)/t18-/m0/s1