(4-bromanyl-2-chloranyl-6-methyl-phenyl) 4-piperidin-1-ylsulfonylbenzoate

Systemtic Name: (4-bromanyl-2-chloranyl-6-methyl-phenyl) 4-piperidin-1-ylsulfonylbenzoate Openeye Name: (4-bromo-2-chloro-6-methyl-phenyl) 4-(1-piperidylsulfonyl)benzoate CAS Name: 4-(1-piperidinylsulfonyl)benzoic acid (4-bromo-2-chloro-6-methylphenyl) ester IUPAC Name: (4-bromo-2-chloro-6-methylphenyl) 4-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-piperidinosulfonylbenzoic acid (4-bromo-2-chloro-6-methyl-phenyl) ester Formula: C19H19BrClNO4S MolecularWeight: 472.78046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)Cl)Br

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)Cl)Br

InChI

InChI=1S/C19H19BrClNO4S/c1-13-11-15(20)12-17(21)18(13)26-19(23)14-5-7-16(8-6-14)27(24,25)22-9-3-2-4-10-22/h5-8,11-12H,2-4,9-10H2,1H3