(2S)-N-(4-bromanyl-3-methyl-phenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-(4-bromanyl-3-methyl-phenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-N-(4-bromo-3-methyl-phenyl)-1-(3,5-dimethylisoxazol-4-yl)sulfonyl-pyrrolidine-2-carboxamide CAS Name: (2S)-N-(4-bromo-3-methylphenyl)-1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-(4-bromo-3-methylphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-(4-bromo-3-methyl-phenyl)-1-(3,5-dimethylisoxazol-4-yl)sulfonyl-pyrrolidine-2-carboxamide Formula: C17H20BrN3O4S MolecularWeight: 442.3274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2CCCN2S(=O)(=O)C3=C(ON=C3C)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)[C@@H]2CCCN2S(=O)(=O)C3=C(ON=C3C)C)Br

InChI

InChI=1S/C17H20BrN3O4S/c1-10-9-13(6-7-14(10)18)19-17(22)15-5-4-8-21(15)26(23,24)16-11(2)20-25-12(16)3/h6-7,9,15H,4-5,8H2,1-3H3,(H,19,22)/t15-/m0/s1