5-(3-azanyl-2-methyl-3-oxidanylidene-propyl)sulfonyl-2-bromanyl-benzoic acid

Systemtic Name: 5-(3-azanyl-2-methyl-3-oxidanylidene-propyl)sulfonyl-2-bromanyl-benzoic acid Openeye Name: 5-(3-amino-2-methyl-3-oxo-propyl)sulfonyl-2-bromo-benzoic acid CAS Name: 5-(3-amino-2-methyl-3-oxopropyl)sulfonyl-2-bromobenzoic acid IUPAC Name: 5-(3-amino-2-methyl-3-oxopropyl)sulfonyl-2-bromobenzoic acid Traditional Name: 5-(3-amino-3-keto-2-methyl-propyl)sulfonyl-2-bromo-benzoic acid Formula: C11H12BrNO5S MolecularWeight: 350.18568

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS(=O)(=O)C1=CC(=C(C=C1)Br)C(=O)O)C(=O)N

Isomeric SMILES

CC(CS(=O)(=O)C1=CC(=C(C=C1)Br)C(=O)O)C(=O)N

InChI

InChI=1S/C11H12BrNO5S/c1-6(10(13)14)5-19(17,18)7-2-3-9(12)8(4-7)11(15)16/h2-4,6H,5H2,1H3,(H2,13,14)(H,15,16)