2-(1,3-benzodioxol-5-ylmethyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-1-benzothiophene-3-sulfonamide

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-1-benzothiophene-3-sulfonamide Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-N-(3,4-dimethylisoxazol-5-yl)benzothiophene-3-sulfonamide CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-N-(3,4-dimethyl-5-isoxazolyl)-1-benzothiophene-3-sulfonamide IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-1-benzothiophene-3-sulfonamide Traditional Name: N-(3,4-dimethylisoxazol-5-yl)-2-piperonyl-benzothiophene-3-sulfonamide Formula: C21H18N2O5S2 MolecularWeight: 442.50802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(ON=C1C)NS(=O)(=O)C2=C(SC3=CC=CC=C32)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(ON=C1C)NS(=O)(=O)C2=C(SC3=CC=CC=C32)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H18N2O5S2/c1-12-13(2)22-28-21(12)23-30(24,25)20-15-5-3-4-6-18(15)29-19(20)10-14-7-8-16-17(9-14)27-11-26-16/h3-9,23H,10-11H2,1-2H3