[3-chloranyl-4-methylsulfonyl-2-(methylsulfonylmethyl)phenyl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone

Systemtic Name: [3-chloranyl-4-methylsulfonyl-2-(methylsulfonylmethyl)phenyl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone Openeye Name: [3-chloro-4-methylsulfonyl-2-(methylsulfonylmethyl)phenyl]-(5-cyclopropylisoxazol-3-yl)methanone CAS Name: [3-chloro-4-methylsulfonyl-2-(methylsulfonylmethyl)phenyl]-(5-cyclopropyl-3-isoxazolyl)methanone IUPAC Name: [3-chloro-4-methylsulfonyl-2-(methylsulfonylmethyl)phenyl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone Traditional Name: [3-chloro-4-mesyl-2-(mesylmethyl)phenyl]-(5-cyclopropylisoxazol-3-yl)methanone Formula: C16H16ClNO6S2 MolecularWeight: 417.88434

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1=C(C=CC(=C1Cl)S(=O)(=O)C)C(=O)C2=NOC(=C2)C3CC3

Isomeric SMILES

CS(=O)(=O)CC1=C(C=CC(=C1Cl)S(=O)(=O)C)C(=O)C2=NOC(=C2)C3CC3

InChI

InChI=1S/C16H16ClNO6S2/c1-25(20,21)8-11-10(5-6-14(15(11)17)26(2,22)23)16(19)12-7-13(24-18-12)9-3-4-9/h5-7,9H,3-4,8H2,1-2H3