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

Systemtic Name: 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-iodophenyl)piperidine-3-carboxamide Openeye Name: 1-(3,5-dimethylisoxazol-4-yl)sulfonyl-N-(4-iodophenyl)piperidine-3-carboxamide CAS Name: 1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-N-(4-iodophenyl)-3-piperidinecarboxamide IUPAC Name: 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-iodophenyl)piperidine-3-carboxamide Traditional Name: 1-(3,5-dimethylisoxazol-4-yl)sulfonyl-N-(4-iodophenyl)nipecotamide Formula: C17H20IN3O4S MolecularWeight: 489.32787

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC=C(C=C3)I

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC=C(C=C3)I

InChI

InChI=1S/C17H20IN3O4S/c1-11-16(12(2)25-20-11)26(23,24)21-9-3-4-13(10-21)17(22)19-15-7-5-14(18)6-8-15/h5-8,13H,3-4,9-10H2,1-2H3,(H,19,22)