(2S)-N-(4-tert-butylphenyl)-1-(2-fluorophenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-(4-tert-butylphenyl)-1-(2-fluorophenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-(4-tert-butylphenyl)-1-(2-fluorophenyl)sulfonyl-pyrrolidine-2-carboxamide CAS Name: (2S)-N-(4-tert-butylphenyl)-1-(2-fluorophenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-(4-tert-butylphenyl)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: (2S)-N-(4-tert-butylphenyl)-1-(2-fluorophenyl)sulfonyl-pyrrolidine-2-carboxamide Formula: C21H25FN2O3S MolecularWeight: 404.498203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)C2CCCN2S(=O)(=O)C3=CC=CC=C3F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)[C@@H]2CCCN2S(=O)(=O)C3=CC=CC=C3F

InChI

InChI=1S/C21H25FN2O3S/c1-21(2,3)15-10-12-16(13-11-15)23-20(25)18-8-6-14-24(18)28(26,27)19-9-5-4-7-17(19)22/h4-5,7,9-13,18H,6,8,14H2,1-3H3,(H,23,25)/t18-/m0/s1