2-bromanyl-5-[2-(3,4-dimethylphenyl)ethylsulfamoyl]-4-methoxy-benzoic acid

Systemtic Name: 2-bromanyl-5-[2-(3,4-dimethylphenyl)ethylsulfamoyl]-4-methoxy-benzoic acid Openeye Name: 2-bromo-5-[2-(3,4-dimethylphenyl)ethylsulfamoyl]-4-methoxy-benzoic acid CAS Name: 2-bromo-5-[2-(3,4-dimethylphenyl)ethylsulfamoyl]-4-methoxybenzoic acid IUPAC Name: 2-bromo-5-[2-(3,4-dimethylphenyl)ethylsulfamoyl]-4-methoxybenzoic acid Traditional Name: 2-bromo-5-[2-(3,4-dimethylphenyl)ethylsulfamoyl]-4-methoxy-benzoic acid Formula: C18H20BrNO5S MolecularWeight: 442.3241

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CCNS(=O)(=O)C2=C(C=C(C(=C2)C(=O)O)Br)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)CCNS(=O)(=O)C2=C(C=C(C(=C2)C(=O)O)Br)OC)C

InChI

InChI=1S/C18H20BrNO5S/c1-11-4-5-13(8-12(11)2)6-7-20-26(23,24)17-9-14(18(21)22)15(19)10-16(17)25-3/h4-5,8-10,20H,6-7H2,1-3H3,(H,21,22)