3-(1-azanyl-1-oxidanylidene-propan-2-yl)sulfonyl-4-bromanyl-benzoic acid

Systemtic Name: 3-(1-azanyl-1-oxidanylidene-propan-2-yl)sulfonyl-4-bromanyl-benzoic acid Openeye Name: 3-(2-amino-1-methyl-2-oxo-ethyl)sulfonyl-4-bromo-benzoic acid CAS Name: 3-(1-amino-1-oxopropan-2-yl)sulfonyl-4-bromobenzoic acid IUPAC Name: 3-(1-amino-1-oxopropan-2-yl)sulfonyl-4-bromobenzoic acid Traditional Name: 3-(2-amino-2-keto-1-methyl-ethyl)sulfonyl-4-bromo-benzoic acid Formula: C10H10BrNO5S MolecularWeight: 336.1591

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10BrNO5S/c1-5(9(12)13)18(16,17)8-4-6(10(14)15)2-3-7(8)11/h2-5H,1H3,(H2,12,13)(H,14,15)