(2S)-N-cycloheptyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide

Systemtic Name: (2S)-N-cycloheptyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide Openeye Name: (2S)-N-cycloheptyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide CAS Name: (2S)-N-cycloheptyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]propanamide IUPAC Name: (2S)-N-cycloheptyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide Traditional Name: (2S)-N-cycloheptyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazino]propionamide Formula: C21H30F3N3O3S MolecularWeight: 461.54141

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C[C@@H](C(=O)NC1CCCCCC1)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H30F3N3O3S/c1-16(20(28)25-18-8-4-2-3-5-9-18)26-11-13-27(14-12-26)31(29,30)19-10-6-7-17(15-19)21(22,23)24/h6-7,10,15-16,18H,2-5,8-9,11-14H2,1H3,(H,25,28)/t16-/m0/s1