N-(4-bromanyl-3-methyl-1,2-oxazol-5-yl)-2-[(6-propyl-1,3-benzodioxol-5-yl)oxymethyl]thiophene-3-sulfonamide

Systemtic Name: N-(4-bromanyl-3-methyl-1,2-oxazol-5-yl)-2-[(6-propyl-1,3-benzodioxol-5-yl)oxymethyl]thiophene-3-sulfonamide Openeye Name: N-(4-bromo-3-methyl-isoxazol-5-yl)-2-[(6-propyl-1,3-benzodioxol-5-yl)oxymethyl]thiophene-3-sulfonamide CAS Name: N-(4-bromo-3-methyl-5-isoxazolyl)-2-[(6-propyl-1,3-benzodioxol-5-yl)oxymethyl]-3-thiophenesulfonamide IUPAC Name: N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-[(6-propyl-1,3-benzodioxol-5-yl)oxymethyl]thiophene-3-sulfonamide Traditional Name: N-(4-bromo-3-methyl-isoxazol-5-yl)-2-[(6-propyl-1,3-benzodioxol-5-yl)oxymethyl]thiophene-3-sulfonamide Formula: C19H19BrN2O6S2 MolecularWeight: 515.39796

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(C=C1OCC3=C(C=CS3)S(=O)(=O)NC4=C(C(=NO4)C)Br)OCO2

Isomeric SMILES

CCCC1=CC2=C(C=C1OCC3=C(C=CS3)S(=O)(=O)NC4=C(C(=NO4)C)Br)OCO2

InChI

InChI=1S/C19H19BrN2O6S2/c1-3-4-12-7-14-15(27-10-26-14)8-13(12)25-9-16-17(5-6-29-16)30(23,24)22-19-18(20)11(2)21-28-19/h5-8,22H,3-4,9-10H2,1-2H3