2-[3-(1,3-benzodioxol-5-yl)propanoyl]-N-(4-chloranyl-3-methyl-1,2-oxazol-5-yl)thieno[2,3-b]pyridine-3-sulfonamide

Systemtic Name: 2-[3-(1,3-benzodioxol-5-yl)propanoyl]-N-(4-chloranyl-3-methyl-1,2-oxazol-5-yl)thieno[2,3-b]pyridine-3-sulfonamide Openeye Name: 2-[3-(1,3-benzodioxol-5-yl)propanoyl]-N-(4-chloro-3-methyl-isoxazol-5-yl)thieno[2,3-b]pyridine-3-sulfonamide CAS Name: 2-[3-(1,3-benzodioxol-5-yl)-1-oxopropyl]-N-(4-chloro-3-methyl-5-isoxazolyl)-3-thieno[2,3-b]pyridinesulfonamide IUPAC Name: 2-[3-(1,3-benzodioxol-5-yl)propanoyl]-N-(4-chloro-3-methyl-1,2-oxazol-5-yl)thieno[2,3-b]pyridine-3-sulfonamide Traditional Name: 2-[3-(1,3-benzodioxol-5-yl)propanoyl]-N-(4-chloro-3-methyl-isoxazol-5-yl)thieno[2,3-b]pyridine-3-sulfonamide Formula: C21H16ClN3O6S2 MolecularWeight: 505.95124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1Cl)NS(=O)(=O)C2=C(SC3=C2C=CC=N3)C(=O)CCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=NOC(=C1Cl)NS(=O)(=O)C2=C(SC3=C2C=CC=N3)C(=O)CCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H16ClN3O6S2/c1-11-17(22)20(31-24-11)25-33(27,28)19-13-3-2-8-23-21(13)32-18(19)14(26)6-4-12-5-7-15-16(9-12)30-10-29-15/h2-3,5,7-9,25H,4,6,10H2,1H3