(2S)-N-[3,4-bis(fluoranyl)phenyl]-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-propanamide

Systemtic Name: (2S)-N-[3,4-bis(fluoranyl)phenyl]-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-propanamide Openeye Name: (2S)-N-(3,4-difluorophenyl)-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-propanamide CAS Name: (2S)-N-(3,4-difluorophenyl)-2-methyl-3-(1-piperazin-4-iumylsulfonyl)propanamide IUPAC Name: (2S)-N-(3,4-difluorophenyl)-2-methyl-3-piperazin-4-ium-1-ylsulfonylpropanamide Traditional Name: (2S)-N-(3,4-difluorophenyl)-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-propionamide Formula: C14H20F2N3O3S+ MolecularWeight: 348.388706

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS(=O)(=O)N1CC[NH2+]CC1)C(=O)NC2=CC(=C(C=C2)F)F

Isomeric SMILES

C[C@H](CS(=O)(=O)N1CC[NH2+]CC1)C(=O)NC2=CC(=C(C=C2)F)F

InChI

InChI=1S/C14H19F2N3O3S/c1-10(9-23(21,22)19-6-4-17-5-7-19)14(20)18-11-2-3-12(15)13(16)8-11/h2-3,8,10,17H,4-7,9H2,1H3,(H,18,20)/p+1/t10-/m1/s1