2-[4-[3,4-bis(fluoranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]-N-cycloheptyl-ethanamide

Systemtic Name: 2-[4-[3,4-bis(fluoranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]-N-cycloheptyl-ethanamide Openeye Name: N-cycloheptyl-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-cycloheptyl-2-[4-(3,4-difluorophenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cycloheptyl-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-cycloheptyl-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C19H28F2N3O3S+ MolecularWeight: 416.505726

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)F

Isomeric SMILES

C1CCCC(CC1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)F

InChI

InChI=1S/C19H27F2N3O3S/c20-17-8-7-16(13-18(17)21)28(26,27)24-11-9-23(10-12-24)14-19(25)22-15-5-3-1-2-4-6-15/h7-8,13,15H,1-6,9-12,14H2,(H,22,25)/p+1