(2S)-N-(3-acetamido-2-methyl-phenyl)-1-(4-fluorophenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-(3-acetamido-2-methyl-phenyl)-1-(4-fluorophenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-(3-acetamido-2-methyl-phenyl)-1-(4-fluorophenyl)sulfonyl-pyrrolidine-2-carboxamide CAS Name: (2S)-N-(3-acetamido-2-methylphenyl)-1-(4-fluorophenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-(3-acetamido-2-methylphenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: (2S)-N-(3-acetamido-2-methyl-phenyl)-1-(4-fluorophenyl)sulfonyl-pyrrolidine-2-carboxamide Formula: C20H22FN3O4S MolecularWeight: 419.469783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C)NC(=O)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C)NC(=O)[C@@H]2CCCN2S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H22FN3O4S/c1-13-17(22-14(2)25)5-3-6-18(13)23-20(26)19-7-4-12-24(19)29(27,28)16-10-8-15(21)9-11-16/h3,5-6,8-11,19H,4,7,12H2,1-2H3,(H,22,25)(H,23,26)/t19-/m0/s1