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

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2-bromanyl-3-chloranyl-benzoic acid Openeye Name: 5-(azepan-1-ylsulfonyl)-2-bromo-3-chloro-benzoic acid CAS Name: 5-(1-azepanylsulfonyl)-2-bromo-3-chlorobenzoic acid IUPAC Name: 5-(azepan-1-ylsulfonyl)-2-bromo-3-chlorobenzoic acid Traditional Name: 5-(azepan-1-ylsulfonyl)-2-bromo-3-chloro-benzoic acid Formula: C13H15BrClNO4S MolecularWeight: 396.6845

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15BrClNO4S/c14-12-10(13(17)18)7-9(8-11(12)15)21(19,20)16-5-3-1-2-4-6-16/h7-8H,1-6H2,(H,17,18)