3-[(5-bromanyl-2-ethoxy-phenyl)sulfonylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[(5-bromanyl-2-ethoxy-phenyl)sulfonylamino]-4-methyl-benzoic acid Openeye Name: 3-[(5-bromo-2-ethoxy-phenyl)sulfonylamino]-4-methyl-benzoic acid CAS Name: 3-[(5-bromo-2-ethoxyphenyl)sulfonylamino]-4-methylbenzoic acid IUPAC Name: 3-[(5-bromo-2-ethoxyphenyl)sulfonylamino]-4-methylbenzoic acid Traditional Name: 3-[(5-bromo-2-ethoxy-phenyl)sulfonylamino]-4-methyl-benzoic acid Formula: C16H16BrNO5S MolecularWeight: 414.27094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)O)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)O)C

InChI

InChI=1S/C16H16BrNO5S/c1-3-23-14-7-6-12(17)9-15(14)24(21,22)18-13-8-11(16(19)20)5-4-10(13)2/h4-9,18H,3H2,1-2H3,(H,19,20)