3-(1,3-benzodioxol-5-ylmethyl)-N-(4-bromanyl-3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(4-bromanyl-3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(4-bromo-3-methyl-isoxazol-5-yl)thiophene-2-sulfonamide CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(4-bromo-3-methyl-5-isoxazolyl)-2-thiophenesulfonamide IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(4-bromo-3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide Traditional Name: N-(4-bromo-3-methyl-isoxazol-5-yl)-3-piperonyl-thiophene-2-sulfonamide Formula: C16H13BrN2O5S2 MolecularWeight: 457.31882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1Br)NS(=O)(=O)C2=C(C=CS2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=NOC(=C1Br)NS(=O)(=O)C2=C(C=CS2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C16H13BrN2O5S2/c1-9-14(17)15(24-18-9)19-26(20,21)16-11(4-5-25-16)6-10-2-3-12-13(7-10)23-8-22-12/h2-5,7,19H,6,8H2,1H3