2-bromanyl-5-(2-oxidanylideneazepan-3-yl)sulfonyl-benzoic acid

Systemtic Name: 2-bromanyl-5-(2-oxidanylideneazepan-3-yl)sulfonyl-benzoic acid Openeye Name: 2-bromo-5-(2-oxoazepan-3-yl)sulfonyl-benzoic acid CAS Name: 2-bromo-5-[(2-oxo-3-azepanyl)sulfonyl]benzoic acid IUPAC Name: 2-bromo-5-(2-oxoazepan-3-yl)sulfonylbenzoic acid Traditional Name: 2-bromo-5-(2-ketoazepan-3-yl)sulfonyl-benzoic acid Formula: C13H14BrNO5S MolecularWeight: 376.22296

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O

Isomeric SMILES

C1CCNC(=O)C(C1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C13H14BrNO5S/c14-10-5-4-8(7-9(10)13(17)18)21(19,20)11-3-1-2-6-15-12(11)16/h4-5,7,11H,1-3,6H2,(H,15,16)(H,17,18)