2-[4-[2,6-bis(fluoranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[4-[2,6-bis(fluoranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: N-cyclopropyl-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-(2,6-difluorophenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C15H20F2N3O3S+ MolecularWeight: 360.399406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=CC=C3F)F

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=CC=C3F)F

InChI

InChI=1S/C15H19F2N3O3S/c16-12-2-1-3-13(17)15(12)24(22,23)20-8-6-19(7-9-20)10-14(21)18-11-4-5-11/h1-3,11H,4-10H2,(H,18,21)/p+1