N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-5-(2-phenylethynyl)-N-prop-2-ynyl-pyridine-3-carboxamide

Systemtic Name: N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-5-(2-phenylethynyl)-N-prop-2-ynyl-pyridine-3-carboxamide Openeye Name: N-(3,5-dimethylisoxazol-4-yl)sulfonyl-5-(2-phenylethynyl)-N-prop-2-ynyl-pyridine-3-carboxamide CAS Name: N-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-5-(2-phenylethynyl)-N-prop-2-ynyl-3-pyridinecarboxamide IUPAC Name: N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-5-(2-phenylethynyl)-N-prop-2-ynylpyridine-3-carboxamide Traditional Name: N-(3,5-dimethylisoxazol-4-yl)sulfonyl-5-(2-phenylethynyl)-N-propargyl-nicotinamide Formula: C22H17N3O4S MolecularWeight: 419.45308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N(CC#C)C(=O)C2=CN=CC(=C2)C#CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N(CC#C)C(=O)C2=CN=CC(=C2)C#CC3=CC=CC=C3

InChI

InChI=1S/C22H17N3O4S/c1-4-12-25(30(27,28)21-16(2)24-29-17(21)3)22(26)20-13-19(14-23-15-20)11-10-18-8-6-5-7-9-18/h1,5-9,13-15H,12H2,2-3H3