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

Systemtic Name: 4-[2-[(5-bromanyl-2-methoxy-phenyl)sulfonylamino]ethyl]benzoic acid Openeye Name: 4-[2-[(5-bromo-2-methoxy-phenyl)sulfonylamino]ethyl]benzoic acid CAS Name: 4-[2-[(5-bromo-2-methoxyphenyl)sulfonylamino]ethyl]benzoic acid IUPAC Name: 4-[2-[(5-bromo-2-methoxyphenyl)sulfonylamino]ethyl]benzoic acid Traditional Name: 4-[2-[(5-bromo-2-methoxy-phenyl)sulfonylamino]ethyl]benzoic acid Formula: C16H16BrNO5S MolecularWeight: 414.27094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)S(=O)(=O)NCCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)S(=O)(=O)NCCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H16BrNO5S/c1-23-14-7-6-13(17)10-15(14)24(21,22)18-9-8-11-2-4-12(5-3-11)16(19)20/h2-7,10,18H,8-9H2,1H3,(H,19,20)