3-(azepan-1-ylsulfonyl)-4-bromanyl-benzoic acid

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-bromanyl-benzoic acid Openeye Name: 3-(azepan-1-ylsulfonyl)-4-bromo-benzoic acid CAS Name: 3-(1-azepanylsulfonyl)-4-bromobenzoic acid IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-bromobenzoic acid Traditional Name: 3-(azepan-1-ylsulfonyl)-4-bromo-benzoic acid Formula: C13H16BrNO4S MolecularWeight: 362.23944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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