N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]adamantane-1-carboxamide

Systemtic Name: N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]adamantane-1-carboxamide Openeye Name: N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]adamantane-1-carboxamide CAS Name: N-[2-[[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]sulfonyl]ethyl]-1-adamantanecarboxamide IUPAC Name: N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]adamantane-1-carboxamide Traditional Name: N-[2-[4-[3-(trifluoromethyl)phenyl]piperazino]sulfonylethyl]adamantane-1-carboxamide Formula: C24H32F3N3O3S MolecularWeight: 499.58939

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)S(=O)(=O)CCNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)S(=O)(=O)CCNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H32F3N3O3S/c25-24(26,27)20-2-1-3-21(13-20)29-5-7-30(8-6-29)34(32,33)9-4-28-22(31)23-14-17-10-18(15-23)12-19(11-17)16-23/h1-3,13,17-19H,4-12,14-16H2,(H,28,31)