N3-(4-chloranyl-3-methyl-1,2-oxazol-5-yl)-N2-(2-ethanoyl-4,6-dimethyl-phenyl)thiophene-2,3-disulfonamide

Systemtic Name: N3-(4-chloranyl-3-methyl-1,2-oxazol-5-yl)-N2-(2-ethanoyl-4,6-dimethyl-phenyl)thiophene-2,3-disulfonamide Openeye Name: N2-(2-acetyl-4,6-dimethyl-phenyl)-N3-(4-chloro-3-methyl-isoxazol-5-yl)thiophene-2,3-disulfonamide CAS Name: N2-(2-acetyl-4,6-dimethylphenyl)-N3-(4-chloro-3-methyl-5-isoxazolyl)thiophene-2,3-disulfonamide IUPAC Name: 2-N-(2-acetyl-4,6-dimethylphenyl)-3-N-(4-chloro-3-methyl-1,2-oxazol-5-yl)thiophene-2,3-disulfonamide Traditional Name: N-(2-acetyl-4,6-dimethyl-phenyl)-N'-(4-chloro-3-methyl-isoxazol-5-yl)thiophene-2,3-disulfonamide Formula: C18H18ClN3O6S3 MolecularWeight: 504.00002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(=O)C)NS(=O)(=O)C2=C(C=CS2)S(=O)(=O)NC3=C(C(=NO3)C)Cl)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C(=O)C)NS(=O)(=O)C2=C(C=CS2)S(=O)(=O)NC3=C(C(=NO3)C)Cl)C

InChI

InChI=1S/C18H18ClN3O6S3/c1-9-7-10(2)16(13(8-9)12(4)23)21-31(26,27)18-14(5-6-29-18)30(24,25)22-17-15(19)11(3)20-28-17/h5-8,21-22H,1-4H3