5-(azonan-1-ylsulfonyl)-2-bromanyl-benzoic acid

Systemtic Name: 5-(azonan-1-ylsulfonyl)-2-bromanyl-benzoic acid Openeye Name: 5-(azonan-1-ylsulfonyl)-2-bromo-benzoic acid CAS Name: 5-(1-azonanylsulfonyl)-2-bromobenzoic acid IUPAC Name: 5-(azonan-1-ylsulfonyl)-2-bromobenzoic acid Traditional Name: 5-(azonan-1-ylsulfonyl)-2-bromo-benzoic acid Formula: C15H20BrNO4S MolecularWeight: 390.2926

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCN(CCC1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O

Isomeric SMILES

C1CCCCN(CCC1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C15H20BrNO4S/c16-14-8-7-12(11-13(14)15(18)19)22(20,21)17-9-5-3-1-2-4-6-10-17/h7-8,11H,1-6,9-10H2,(H,18,19)