sodium (E)-3-[2-(1-benzothiophen-2-ylmethyl)-5-fluoranyl-phenyl]-N-(5-bromanyl-2-methoxy-phenyl)sulfonyl-prop-2-enamide

Systemtic Name: sodium (E)-3-[2-(1-benzothiophen-2-ylmethyl)-5-fluoranyl-phenyl]-N-(5-bromanyl-2-methoxy-phenyl)sulfonyl-prop-2-enamide Openeye Name: sodium (E)-3-[2-(benzothiophen-2-ylmethyl)-5-fluoro-phenyl]-N-(5-bromo-2-methoxy-phenyl)sulfonyl-prop-2-enamide CAS Name: sodium (E)-3-[2-(1-benzothiophen-2-ylmethyl)-5-fluorophenyl]-N-(5-bromo-2-methoxyphenyl)sulfonyl-2-propenamide IUPAC Name: sodium (E)-3-[2-(1-benzothiophen-2-ylmethyl)-5-fluorophenyl]-N-(5-bromo-2-methoxyphenyl)sulfonylprop-2-enamide Traditional Name: sodium (E)-3-[2-(benzothiophen-2-ylmethyl)-5-fluoro-phenyl]-N-(5-bromo-2-methoxy-phenyl)sulfonyl-acrylamide Formula: C25H19BrFNNaO4S2+ MolecularWeight: 583.444833

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)S(=O)(=O)NC(=O)C=CC2=C(C=CC(=C2)F)CC3=CC4=CC=CC=C4S3.[Na+]

Isomeric SMILES

COC1=C(C=C(C=C1)Br)S(=O)(=O)NC(=O)/C=C/C2=C(C=CC(=C2)F)CC3=CC4=CC=CC=C4S3.[Na+]

InChI

InChI=1S/C25H19BrFNO4S2.Na/c1-32-22-10-8-19(26)15-24(22)34(30,31)28-25(29)11-7-16-12-20(27)9-6-17(16)13-21-14-18-4-2-3-5-23(18)33-21;/h2-12,14-15H,13H2,1H3,(H,28,29);/q;+1/b11-7+;