(4-bromophenyl) 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: (4-bromophenyl) 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: (4-bromophenyl) 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid (4-bromophenyl) ester IUPAC Name: (4-bromophenyl) 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid (4-bromophenyl) ester Formula: C19H20BrNO4S MolecularWeight: 438.3354

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=CC=C(C=C3)Br

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=CC=C(C=C3)Br

InChI

InChI=1S/C19H20BrNO4S/c20-16-8-10-17(11-9-16)25-19(22)15-6-5-7-18(14-15)26(23,24)21-12-3-1-2-4-13-21/h5-11,14H,1-4,12-13H2