5-bromanyl-2-[(4-pentylphenyl)sulfonylamino]benzoic acid

Systemtic Name: 5-bromanyl-2-[(4-pentylphenyl)sulfonylamino]benzoic acid Openeye Name: 5-bromo-2-[(4-pentylphenyl)sulfonylamino]benzoic acid CAS Name: 5-bromo-2-[(4-pentylphenyl)sulfonylamino]benzoic acid IUPAC Name: 5-bromo-2-[(4-pentylphenyl)sulfonylamino]benzoic acid Traditional Name: 2-[(4-amylphenyl)sulfonylamino]-5-bromo-benzoic acid Formula: C18H20BrNO4S MolecularWeight: 426.3247

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)Br)C(=O)O

Isomeric SMILES

CCCCCC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C18H20BrNO4S/c1-2-3-4-5-13-6-9-15(10-7-13)25(23,24)20-17-11-8-14(19)12-16(17)18(21)22/h6-12,20H,2-5H2,1H3,(H,21,22)