2-[(5-bromanyl-2-methoxy-phenyl)sulfonylamino]-5-methoxy-4-(2-methoxyethoxy)benzoic acid

Systemtic Name: 2-[(5-bromanyl-2-methoxy-phenyl)sulfonylamino]-5-methoxy-4-(2-methoxyethoxy)benzoic acid Openeye Name: 2-[(5-bromo-2-methoxy-phenyl)sulfonylamino]-5-methoxy-4-(2-methoxyethoxy)benzoic acid CAS Name: 2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-5-methoxy-4-(2-methoxyethoxy)benzoic acid IUPAC Name: 2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-5-methoxy-4-(2-methoxyethoxy)benzoic acid Traditional Name: 2-[(5-bromo-2-methoxy-phenyl)sulfonylamino]-5-methoxy-4-(2-methoxyethoxy)benzoic acid Formula: C18H20BrNO8S MolecularWeight: 490.3223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrNO8S/c1-25-6-7-28-16-10-13(12(18(21)22)9-15(16)27-3)20-29(23,24)17-8-11(19)4-5-14(17)26-2/h4-5,8-10,20H,6-7H2,1-3H3,(H,21,22)