2-[(5-bromanylthiophen-2-yl)sulfonylamino]-5-methoxy-4-(2-methoxyethoxy)benzoic acid

Systemtic Name: 2-[(5-bromanylthiophen-2-yl)sulfonylamino]-5-methoxy-4-(2-methoxyethoxy)benzoic acid Openeye Name: 2-[(5-bromo-2-thienyl)sulfonylamino]-5-methoxy-4-(2-methoxyethoxy)benzoic acid CAS Name: 2-[(5-bromo-2-thiophenyl)sulfonylamino]-5-methoxy-4-(2-methoxyethoxy)benzoic acid IUPAC Name: 2-[(5-bromothiophen-2-yl)sulfonylamino]-5-methoxy-4-(2-methoxyethoxy)benzoic acid Traditional Name: 2-[(5-bromo-2-thienyl)sulfonylamino]-5-methoxy-4-(2-methoxyethoxy)benzoic acid Formula: C15H16BrNO7S2 MolecularWeight: 466.32404

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C(C(=C1)NS(=O)(=O)C2=CC=C(S2)Br)C(=O)O)OC

Isomeric SMILES

COCCOC1=C(C=C(C(=C1)NS(=O)(=O)C2=CC=C(S2)Br)C(=O)O)OC

InChI

InChI=1S/C15H16BrNO7S2/c1-22-5-6-24-12-8-10(9(15(18)19)7-11(12)23-2)17-26(20,21)14-4-3-13(16)25-14/h3-4,7-8,17H,5-6H2,1-2H3,(H,18,19)