(4-bromanyl-2-chloranyl-phenyl) 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: (4-bromanyl-2-chloranyl-phenyl) 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: (4-bromo-2-chloro-phenyl) 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid (4-bromo-2-chlorophenyl) ester IUPAC Name: (4-bromo-2-chlorophenyl) 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid (4-bromo-2-chloro-phenyl) ester Formula: C19H19BrClNO4S MolecularWeight: 472.78046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19BrClNO4S/c20-15-7-10-18(17(21)13-15)26-19(23)14-5-8-16(9-6-14)27(24,25)22-11-3-1-2-4-12-22/h5-10,13H,1-4,11-12H2