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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-N-(4-bromanyl-3-methyl-1,2-oxazol-5-yl)-1-benzothiophene-3-sulfonamide Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-N-(4-bromo-3-methyl-isoxazol-5-yl)benzothiophene-3-sulfonamide CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-N-(4-bromo-3-methyl-5-isoxazolyl)-1-benzothiophene-3-sulfonamide IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-1-benzothiophene-3-sulfonamide Traditional Name: N-(4-bromo-3-methyl-isoxazol-5-yl)-2-piperonyl-benzothiophene-3-sulfonamide Formula: C20H15BrN2O5S2 MolecularWeight: 507.3775

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1Br)NS(=O)(=O)C2=C(SC3=CC=CC=C32)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=NOC(=C1Br)NS(=O)(=O)C2=C(SC3=CC=CC=C32)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H15BrN2O5S2/c1-11-18(21)20(28-22-11)23-30(24,25)19-13-4-2-3-5-16(13)29-17(19)9-12-6-7-14-15(8-12)27-10-26-14/h2-8,23H,9-10H2,1H3