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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(C=C1OCC3=C(SC=C3)S(=O)(=O)NC4=C(C(=NO4)C)Br)OCO2

Isomeric SMILES

CCCC1=CC2=C(C=C1OCC3=C(SC=C3)S(=O)(=O)NC4=C(C(=NO4)C)Br)OCO2

InChI

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