N-[2-(1H-indol-3-yl)ethyl]-1-octylsulfonyl-4-[3-[3-(trifluoromethyl)phenyl]propanoyl]piperazine-2-carboxamide

Systemtic Name: N-[2-(1H-indol-3-yl)ethyl]-1-octylsulfonyl-4-[3-[3-(trifluoromethyl)phenyl]propanoyl]piperazine-2-carboxamide Openeye Name: N-[2-(1H-indol-3-yl)ethyl]-1-octylsulfonyl-4-[3-[3-(trifluoromethyl)phenyl]propanoyl]piperazine-2-carboxamide CAS Name: N-[2-(1H-indol-3-yl)ethyl]-1-octylsulfonyl-4-[1-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-2-piperazinecarboxamide IUPAC Name: N-[2-(1H-indol-3-yl)ethyl]-1-octylsulfonyl-4-[3-[3-(trifluoromethyl)phenyl]propanoyl]piperazine-2-carboxamide Traditional Name: N-[2-(1H-indol-3-yl)ethyl]-1-octylsulfonyl-4-[3-[3-(trifluoromethyl)phenyl]propanoyl]piperazine-2-carboxamide Formula: C33H43F3N4O4S MolecularWeight: 648.77913

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)N1CCN(CC1C(=O)NCCC2=CNC3=CC=CC=C32)C(=O)CCC4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

CCCCCCCCS(=O)(=O)N1CCN(CC1C(=O)NCCC2=CNC3=CC=CC=C32)C(=O)CCC4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C33H43F3N4O4S/c1-2-3-4-5-6-9-21-45(43,44)40-20-19-39(31(41)16-15-25-11-10-12-27(22-25)33(34,35)36)24-30(40)32(42)37-18-17-26-23-38-29-14-8-7-13-28(26)29/h7-8,10-14,22-23,30,38H,2-6,9,15-21,24H2,1H3,(H,37,42)