1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-iodophenyl)pyrrolidine-2-carboxamide

Systemtic Name: 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-iodophenyl)pyrrolidine-2-carboxamide Openeye Name: 1-(3,5-dimethylisoxazol-4-yl)sulfonyl-N-(4-iodophenyl)pyrrolidine-2-carboxamide CAS Name: 1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-N-(4-iodophenyl)-2-pyrrolidinecarboxamide IUPAC Name: 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-iodophenyl)pyrrolidine-2-carboxamide Traditional Name: 1-(3,5-dimethylisoxazol-4-yl)sulfonyl-N-(4-iodophenyl)pyrrolidine-2-carboxamide Formula: C16H18IN3O4S MolecularWeight: 475.30129

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCC2C(=O)NC3=CC=C(C=C3)I

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCC2C(=O)NC3=CC=C(C=C3)I

InChI

InChI=1S/C16H18IN3O4S/c1-10-15(11(2)24-19-10)25(22,23)20-9-3-4-14(20)16(21)18-13-7-5-12(17)6-8-13/h5-8,14H,3-4,9H2,1-2H3,(H,18,21)