6-bromanyl-1-(4-methylphenyl)sulfonyl-5-oxidanylidene-azepane-4-carboxylic acid

Systemtic Name: 6-bromanyl-1-(4-methylphenyl)sulfonyl-5-oxidanylidene-azepane-4-carboxylic acid Openeye Name: 6-bromo-5-oxo-1-(p-tolylsulfonyl)azepane-4-carboxylic acid CAS Name: 6-bromo-1-(4-methylphenyl)sulfonyl-5-oxo-4-azepanecarboxylic acid IUPAC Name: 6-bromo-1-(4-methylphenyl)sulfonyl-5-oxoazepane-4-carboxylic acid Traditional Name: 6-bromo-5-keto-1-tosyl-azepane-4-carboxylic acid Formula: C14H16BrNO5S MolecularWeight: 390.24954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(C(=O)C(C2)Br)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(C(=O)C(C2)Br)C(=O)O

InChI

InChI=1S/C14H16BrNO5S/c1-9-2-4-10(5-3-9)22(20,21)16-7-6-11(14(18)19)13(17)12(15)8-16/h2-5,11-12H,6-8H2,1H3,(H,18,19)