2-[(4-bromanyl-3-methyl-phenyl)sulfonyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[(4-bromanyl-3-methyl-phenyl)sulfonyl-methyl-amino]ethanoic acid Openeye Name: 2-[(4-bromo-3-methyl-phenyl)sulfonyl-methyl-amino]acetic acid CAS Name: 2-[(4-bromo-3-methylphenyl)sulfonyl-methylamino]acetic acid IUPAC Name: 2-[(4-bromo-3-methylphenyl)sulfonyl-methylamino]acetic acid Traditional Name: 2-[(4-bromo-3-methyl-phenyl)sulfonyl-methyl-amino]acetic acid Formula: C10H12BrNO4S MolecularWeight: 322.17558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12BrNO4S/c1-7-5-8(3-4-9(7)11)17(15,16)12(2)6-10(13)14/h3-5H,6H2,1-2H3,(H,13,14)