N-aminocarbonyl-3-[4-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide

Systemtic Name: N-aminocarbonyl-3-[4-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide Openeye Name: 3-[4-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-N-carbamoyl-propanamide CAS Name: 3-[4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]-N-carbamoylpropanamide IUPAC Name: 3-[4-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-N-carbamoylpropanamide Traditional Name: 3-[4-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazino]-N-carbamoyl-propionamide Formula: C16H18F6N4O4S MolecularWeight: 476.393939

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)NC(=O)N)S(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1CN(CCN1CCC(=O)NC(=O)N)S(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C16H18F6N4O4S/c17-15(18,19)10-7-11(16(20,21)22)9-12(8-10)31(29,30)26-5-3-25(4-6-26)2-1-13(27)24-14(23)28/h7-9H,1-6H2,(H3,23,24,27,28)