3-[(4-bromanyl-3-propoxy-phenyl)sulfonylamino]benzoic acid

Systemtic Name: 3-[(4-bromanyl-3-propoxy-phenyl)sulfonylamino]benzoic acid Openeye Name: 3-[(4-bromo-3-propoxy-phenyl)sulfonylamino]benzoic acid CAS Name: 3-[(4-bromo-3-propoxyphenyl)sulfonylamino]benzoic acid IUPAC Name: 3-[(4-bromo-3-propoxyphenyl)sulfonylamino]benzoic acid Traditional Name: 3-[(4-bromo-3-propoxy-phenyl)sulfonylamino]benzoic acid Formula: C16H16BrNO5S MolecularWeight: 414.27094

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)O)Br

Isomeric SMILES

CCCOC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)O)Br

InChI

InChI=1S/C16H16BrNO5S/c1-2-8-23-15-10-13(6-7-14(15)17)24(21,22)18-12-5-3-4-11(9-12)16(19)20/h3-7,9-10,18H,2,8H2,1H3,(H,19,20)