(3S)-N-(1-adamantyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(1-adamantyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(1-adamantyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-(1-adamantyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-(1-adamantyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(1-adamantyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-nipecotamide Formula: C23H29F3N2O3S MolecularWeight: 470.54817

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H29F3N2O3S/c24-23(25,26)19-4-1-5-20(10-19)32(30,31)28-6-2-3-18(14-28)21(29)27-22-11-15-7-16(12-22)9-17(8-15)13-22/h1,4-5,10,15-18H,2-3,6-9,11-14H2,(H,27,29)/t15?,16?,17?,18-,22?/m0/s1