(3S)-N-(2-ethyl-6-methyl-phenyl)-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(2-ethyl-6-methyl-phenyl)-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(2-ethyl-6-methyl-phenyl)-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-(2-ethyl-6-methylphenyl)-1-(4-fluorophenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-(2-ethyl-6-methylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(2-ethyl-6-methyl-phenyl)-1-(4-fluorophenyl)sulfonyl-nipecotamide Formula: C21H25FN2O3S MolecularWeight: 404.498203

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C21H25FN2O3S/c1-3-16-7-4-6-15(2)20(16)23-21(25)17-8-5-13-24(14-17)28(26,27)19-11-9-18(22)10-12-19/h4,6-7,9-12,17H,3,5,8,13-14H2,1-2H3,(H,23,25)/t17-/m0/s1