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

Systemtic Name: 2-[(2-bromanyl-4-methyl-phenyl)sulfonylamino]-5-methoxy-4-(2-methoxyethoxy)benzoic acid Openeye Name: 2-[(2-bromo-4-methyl-phenyl)sulfonylamino]-5-methoxy-4-(2-methoxyethoxy)benzoic acid CAS Name: 2-[(2-bromo-4-methylphenyl)sulfonylamino]-5-methoxy-4-(2-methoxyethoxy)benzoic acid IUPAC Name: 2-[(2-bromo-4-methylphenyl)sulfonylamino]-5-methoxy-4-(2-methoxyethoxy)benzoic acid Traditional Name: 2-[(2-bromo-4-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=CC(=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2C(=O)O)OC)OCCOC)Br

Isomeric SMILES

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

InChI

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