(2S)-N-(2,3-dimethylphenyl)-1-(4-fluorophenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-(2,3-dimethylphenyl)-1-(4-fluorophenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-(2,3-dimethylphenyl)-1-(4-fluorophenyl)sulfonyl-pyrrolidine-2-carboxamide CAS Name: (2S)-N-(2,3-dimethylphenyl)-1-(4-fluorophenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-(2,3-dimethylphenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: (2S)-N-(2,3-dimethylphenyl)-1-(4-fluorophenyl)sulfonyl-pyrrolidine-2-carboxamide Formula: C19H21FN2O3S MolecularWeight: 376.445043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)[C@@H]2CCCN2S(=O)(=O)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C19H21FN2O3S/c1-13-5-3-6-17(14(13)2)21-19(23)18-7-4-12-22(18)26(24,25)16-10-8-15(20)9-11-16/h3,5-6,8-11,18H,4,7,12H2,1-2H3,(H,21,23)/t18-/m0/s1