(2S)-N-(4-chloranyl-2-fluoranyl-phenyl)-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-(4-chloranyl-2-fluoranyl-phenyl)-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-(4-chloro-2-fluoro-phenyl)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-(4-chloro-2-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-(4-chloro-2-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: (2S)-N-(4-chloro-2-fluoro-phenyl)-1-tosyl-pyrrolidine-2-carboxamide Formula: C18H18ClFN2O3S MolecularWeight: 396.863523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=C(C=C(C=C3)Cl)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)NC3=C(C=C(C=C3)Cl)F

InChI

InChI=1S/C18H18ClFN2O3S/c1-12-4-7-14(8-5-12)26(24,25)22-10-2-3-17(22)18(23)21-16-9-6-13(19)11-15(16)20/h4-9,11,17H,2-3,10H2,1H3,(H,21,23)/t17-/m0/s1