3-[(4-bromanyl-3-methyl-phenyl)sulfonylamino]butanoic acid

Systemtic Name: 3-[(4-bromanyl-3-methyl-phenyl)sulfonylamino]butanoic acid Openeye Name: 3-[(4-bromo-3-methyl-phenyl)sulfonylamino]butanoic acid CAS Name: 3-[(4-bromo-3-methylphenyl)sulfonylamino]butanoic acid IUPAC Name: 3-[(4-bromo-3-methylphenyl)sulfonylamino]butanoic acid Traditional Name: 3-[(4-bromo-3-methyl-phenyl)sulfonylamino]butyric acid Formula: C11H14BrNO4S MolecularWeight: 336.20216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)NC(C)CC(=O)O)Br

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)NC(C)CC(=O)O)Br

InChI

InChI=1S/C11H14BrNO4S/c1-7-5-9(3-4-10(7)12)18(16,17)13-8(2)6-11(14)15/h3-5,8,13H,6H2,1-2H3,(H,14,15)