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

Systemtic Name: N3-[2-(2-cyano-3,4,6-trimethyl-phenyl)-3,3-dimethyl-1,2-oxazol-5-yl]thiophene-2,3-disulfonamide Openeye Name: N3-[2-(2-cyano-3,4,6-trimethyl-phenyl)-3,3-dimethyl-isoxazol-5-yl]thiophene-2,3-disulfonamide CAS Name: N3-[2-(2-cyano-3,4,6-trimethylphenyl)-3,3-dimethyl-5-isoxazolyl]thiophene-2,3-disulfonamide IUPAC Name: 3-N-[2-(2-cyano-3,4,6-trimethylphenyl)-3,3-dimethyl-1,2-oxazol-5-yl]thiophene-2,3-disulfonamide Traditional Name: N'-[2-(2-cyano-3,4,6-trimethyl-phenyl)-3,3-dimethyl-4-isoxazolin-5-yl]thiophene-2,3-disulfonamide Formula: C19H22N4O5S3 MolecularWeight: 482.59678

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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)(C)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)(C)C)C

InChI

InChI=1S/C19H22N4O5S3/c1-11-8-12(2)17(14(10-20)13(11)3)23-19(4,5)9-16(28-23)22-31(26,27)15-6-7-29-18(15)30(21,24)25/h6-9,22H,1-5H3,(H2,21,24,25)