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

Systemtic Name: 2-[(5-bromanyl-2-methyl-phenyl)sulfonylamino]-5-methoxy-4-(2-methoxyethoxy)benzoic acid Openeye Name: 2-[(5-bromo-2-methyl-phenyl)sulfonylamino]-5-methoxy-4-(2-methoxyethoxy)benzoic acid CAS Name: 2-[(5-bromo-2-methylphenyl)sulfonylamino]-5-methoxy-4-(2-methoxyethoxy)benzoic acid IUPAC Name: 2-[(5-bromo-2-methylphenyl)sulfonylamino]-5-methoxy-4-(2-methoxyethoxy)benzoic acid Traditional Name: 2-[(5-bromo-2-methyl-phenyl)sulfonylamino]-5-methoxy-4-(2-methoxyethoxy)benzoic acid Formula: C18H20BrNO7S MolecularWeight: 474.3229

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Br)S(=O)(=O)NC2=CC(=C(C=C2C(=O)O)OC)OCCOC

Isomeric SMILES

CC1=C(C=C(C=C1)Br)S(=O)(=O)NC2=CC(=C(C=C2C(=O)O)OC)OCCOC

InChI

InChI=1S/C18H20BrNO7S/c1-11-4-5-12(19)8-17(11)28(23,24)20-14-10-16(27-7-6-25-2)15(26-3)9-13(14)18(21)22/h4-5,8-10,20H,6-7H2,1-3H3,(H,21,22)