(2S)-N-(3-chloranyl-4-fluoranyl-phenyl)-1-(phenylsulfonyl)pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-(3-chloranyl-4-fluoranyl-phenyl)-1-(phenylsulfonyl)pyrrolidine-2-carboxamide Openeye Name: (2S)-1-(benzenesulfonyl)-N-(3-chloro-4-fluoro-phenyl)pyrrolidine-2-carboxamide CAS Name: (2S)-1-(benzenesulfonyl)-N-(3-chloro-4-fluorophenyl)-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-(benzenesulfonyl)-N-(3-chloro-4-fluorophenyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-1-besyl-N-(3-chloro-4-fluoro-phenyl)pyrrolidine-2-carboxamide Formula: C17H16ClFN2O3S MolecularWeight: 382.836943

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1C[C@H](N(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C17H16ClFN2O3S/c18-14-11-12(8-9-15(14)19)20-17(22)16-7-4-10-21(16)25(23,24)13-5-2-1-3-6-13/h1-3,5-6,8-9,11,16H,4,7,10H2,(H,20,22)/t16-/m0/s1