3-(azepan-1-ylsulfonyl)-2-bromanyl-benzoic acid

Systemtic Name: 3-(azepan-1-ylsulfonyl)-2-bromanyl-benzoic acid Openeye Name: 3-(azepan-1-ylsulfonyl)-2-bromo-benzoic acid CAS Name: 3-(1-azepanylsulfonyl)-2-bromobenzoic acid IUPAC Name: 3-(azepan-1-ylsulfonyl)-2-bromobenzoic acid Traditional Name: 3-(azepan-1-ylsulfonyl)-2-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(=C2Br)C(=O)O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2Br)C(=O)O

InChI

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