(4-bromanyl-2-chloranyl-6-methyl-phenyl) 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: (4-bromanyl-2-chloranyl-6-methyl-phenyl) 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: (4-bromo-2-chloro-6-methyl-phenyl) 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid (4-bromo-2-chloro-6-methylphenyl) ester IUPAC Name: (4-bromo-2-chloro-6-methylphenyl) 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid (4-bromo-2-chloro-6-methyl-phenyl) ester Formula: C20H21BrClNO4S MolecularWeight: 486.80704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)Cl)Br

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)Cl)Br

InChI

InChI=1S/C20H21BrClNO4S/c1-14-12-16(21)13-18(22)19(14)27-20(24)15-6-8-17(9-7-15)28(25,26)23-10-4-2-3-5-11-23/h6-9,12-13H,2-5,10-11H2,1H3