4-bromanyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]butanamide

Systemtic Name: 4-bromanyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]butanamide Openeye Name: 4-bromo-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]butanamide CAS Name: 4-bromo-N-[2-[[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]sulfonyl]ethyl]butanamide IUPAC Name: 4-bromo-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]butanamide Traditional Name: 4-bromo-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazino]sulfonylethyl]butyramide Formula: C17H23BrF3N3O3S MolecularWeight: 486.34703

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)S(=O)(=O)CCNC(=O)CCCBr

Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)S(=O)(=O)CCNC(=O)CCCBr

InChI

InChI=1S/C17H23BrF3N3O3S/c18-6-2-5-16(25)22-7-12-28(26,27)24-10-8-23(9-11-24)15-4-1-3-14(13-15)17(19,20)21/h1,3-4,13H,2,5-12H2,(H,22,25)