(2S)-1-(4-fluorophenyl)sulfonyl-N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-(4-fluorophenyl)sulfonyl-N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[1-(2-anilino-2-oxo-ethyl)piperidin-1-ium-4-yl]-1-(4-fluorophenyl)sulfonyl-pyrrolidine-2-carboxamide CAS Name: (2S)-N-[1-(2-anilino-2-oxoethyl)-4-piperidin-1-iumyl]-1-(4-fluorophenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[1-(2-anilino-2-oxoethyl)piperidin-1-ium-4-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: (2S)-N-[1-(2-anilino-2-keto-ethyl)piperidin-1-ium-4-yl]-1-(4-fluorophenyl)sulfonyl-pyrrolidine-2-carboxamide Formula: C24H30FN4O4S+ MolecularWeight: 489.582803

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3CC[NH+](CC3)CC(=O)NC4=CC=CC=C4

Isomeric SMILES

C1C[C@H](N(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3CC[NH+](CC3)CC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C24H29FN4O4S/c25-18-8-10-21(11-9-18)34(32,33)29-14-4-7-22(29)24(31)27-20-12-15-28(16-13-20)17-23(30)26-19-5-2-1-3-6-19/h1-3,5-6,8-11,20,22H,4,7,12-17H2,(H,26,30)(H,27,31)/p+1/t22-/m0/s1