3-(azepan-1-ylsulfonyl)-5-bromanyl-benzoic acid

Systemtic Name: 3-(azepan-1-ylsulfonyl)-5-bromanyl-benzoic acid Openeye Name: 3-(azepan-1-ylsulfonyl)-5-bromo-benzoic acid CAS Name: 3-(1-azepanylsulfonyl)-5-bromobenzoic acid IUPAC Name: 3-(azepan-1-ylsulfonyl)-5-bromobenzoic acid Traditional Name: 3-(azepan-1-ylsulfonyl)-5-bromo-benzoic acid Formula: C13H16BrNO4S MolecularWeight: 362.23944

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=CC(=C2)C(=O)O)Br

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=CC(=C2)C(=O)O)Br

InChI

InChI=1S/C13H16BrNO4S/c14-11-7-10(13(16)17)8-12(9-11)20(18,19)15-5-3-1-2-4-6-15/h7-9H,1-6H2,(H,16,17)