5-(azepan-1-ylsulfonyl)-2-bromanyl-benzoate

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2-bromanyl-benzoate Openeye Name: 5-(azepan-1-ylsulfonyl)-2-bromo-benzoate CAS Name: 5-(1-azepanylsulfonyl)-2-bromobenzoate IUPAC Name: 5-(azepan-1-ylsulfonyl)-2-bromobenzoate Traditional Name: 5-(azepan-1-ylsulfonyl)-2-bromo-benzoate Formula: C13H15BrNO4S- MolecularWeight: 361.2315

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)[O-]

InChI

InChI=1S/C13H16BrNO4S/c14-12-6-5-10(9-11(12)13(16)17)20(18,19)15-7-3-1-2-4-8-15/h5-6,9H,1-4,7-8H2,(H,16,17)/p-1