4-[(5-bromanyl-2-ethoxy-phenyl)sulfonyl-methyl-amino]butanoic acid

Systemtic Name: 4-[(5-bromanyl-2-ethoxy-phenyl)sulfonyl-methyl-amino]butanoic acid Openeye Name: 4-[(5-bromo-2-ethoxy-phenyl)sulfonyl-methyl-amino]butanoic acid CAS Name: 4-[(5-bromo-2-ethoxyphenyl)sulfonyl-methylamino]butanoic acid IUPAC Name: 4-[(5-bromo-2-ethoxyphenyl)sulfonyl-methylamino]butanoic acid Traditional Name: 4-[(5-bromo-2-ethoxy-phenyl)sulfonyl-methyl-amino]butyric acid Formula: C13H18BrNO5S MolecularWeight: 380.25472

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)N(C)CCCC(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)N(C)CCCC(=O)O

InChI

InChI=1S/C13H18BrNO5S/c1-3-20-11-7-6-10(14)9-12(11)21(18,19)15(2)8-4-5-13(16)17/h6-7,9H,3-5,8H2,1-2H3,(H,16,17)