N3-[4-chloranyl-2-(2-cyano-3,4,6-trimethyl-phenyl)-3-methyl-5H-1,2-oxazol-5-yl]thiophene-2,3-disulfonamide

Systemtic Name: N3-[4-chloranyl-2-(2-cyano-3,4,6-trimethyl-phenyl)-3-methyl-5H-1,2-oxazol-5-yl]thiophene-2,3-disulfonamide Openeye Name: N3-[4-chloro-2-(2-cyano-3,4,6-trimethyl-phenyl)-3-methyl-5H-isoxazol-5-yl]thiophene-2,3-disulfonamide CAS Name: N3-[4-chloro-2-(2-cyano-3,4,6-trimethylphenyl)-3-methyl-5H-isoxazol-5-yl]thiophene-2,3-disulfonamide IUPAC Name: 3-N-[4-chloro-2-(2-cyano-3,4,6-trimethylphenyl)-3-methyl-5H-1,2-oxazol-5-yl]thiophene-2,3-disulfonamide Traditional Name: N'-[4-chloro-2-(2-cyano-3,4,6-trimethyl-phenyl)-3-methyl-3-isoxazolin-5-yl]thiophene-2,3-disulfonamide Formula: C18H19ClN4O5S3 MolecularWeight: 503.01526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)C#N)N2C(=C(C(O2)NS(=O)(=O)C3=C(SC=C3)S(=O)(=O)N)Cl)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)C#N)N2C(=C(C(O2)NS(=O)(=O)C3=C(SC=C3)S(=O)(=O)N)Cl)C)C

InChI

InChI=1S/C18H19ClN4O5S3/c1-9-7-10(2)16(13(8-20)11(9)3)23-12(4)15(19)17(28-23)22-31(26,27)14-5-6-29-18(14)30(21,24)25/h5-7,17,22H,1-4H3,(H2,21,24,25)