7-[(4-bromanyl-3-methyl-phenyl)sulfonylamino]heptanoic acid

Systemtic Name: 7-[(4-bromanyl-3-methyl-phenyl)sulfonylamino]heptanoic acid Openeye Name: 7-[(4-bromo-3-methyl-phenyl)sulfonylamino]heptanoic acid CAS Name: 7-[(4-bromo-3-methylphenyl)sulfonylamino]heptanoic acid IUPAC Name: 7-[(4-bromo-3-methylphenyl)sulfonylamino]heptanoic acid Traditional Name: 7-[(4-bromo-3-methyl-phenyl)sulfonylamino]enanthic acid Formula: C14H20BrNO4S MolecularWeight: 378.2819

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20BrNO4S/c1-11-10-12(7-8-13(11)15)21(19,20)16-9-5-3-2-4-6-14(17)18/h7-8,10,16H,2-6,9H2,1H3,(H,17,18)