(2S)-N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-methyl-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-methyl-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[(2-chloro-6-fluoro-phenyl)methyl]-N-methyl-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: (2S)-N-(2-chloro-6-fluoro-benzyl)-N-methyl-1-tosyl-pyrrolidine-2-carboxamide Formula: C20H22ClFN2O3S MolecularWeight: 424.916683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N(C)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)N(C)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C20H22ClFN2O3S/c1-14-8-10-15(11-9-14)28(26,27)24-12-4-7-19(24)20(25)23(2)13-16-17(21)5-3-6-18(16)22/h3,5-6,8-11,19H,4,7,12-13H2,1-2H3/t19-/m0/s1