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

Systemtic Name: (4-bromophenyl) 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: (4-bromophenyl) 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid (4-bromophenyl) ester IUPAC Name: (4-bromophenyl) 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(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=C(C=C2)C(=O)OC3=CC=C(C=C3)Br

Isomeric SMILES

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

InChI

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