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

Systemtic Name: bis[3-(4-chloranyl-2-methylsulfonyl-phenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methanone Openeye Name: bis[3-(4-chloro-2-methylsulfonyl-phenyl)-5-cyclopropyl-isoxazol-4-yl]methanone CAS Name: bis[3-(4-chloro-2-methylsulfonylphenyl)-5-cyclopropyl-4-isoxazolyl]methanone IUPAC Name: bis[3-(4-chloro-2-methylsulfonylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methanone Traditional Name: bis[3-(4-chloro-2-mesyl-phenyl)-5-cyclopropyl-isoxazol-4-yl]methanone Formula: C27H22Cl2N2O7S2 MolecularWeight: 621.50878

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)Cl)C2=NOC(=C2C(=O)C3=C(ON=C3C4=C(C=C(C=C4)Cl)S(=O)(=O)C)C5CC5)C6CC6

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)Cl)C2=NOC(=C2C(=O)C3=C(ON=C3C4=C(C=C(C=C4)Cl)S(=O)(=O)C)C5CC5)C6CC6

InChI

InChI=1S/C27H22Cl2N2O7S2/c1-39(33,34)19-11-15(28)7-9-17(19)23-21(26(37-30-23)13-3-4-13)25(32)22-24(31-38-27(22)14-5-6-14)18-10-8-16(29)12-20(18)40(2,35)36/h7-14H,3-6H2,1-2H3