(4-bromanyl-2-chloranyl-phenyl) 1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylate

Systemtic Name: (4-bromanyl-2-chloranyl-phenyl) 1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylate Openeye Name: (4-bromo-2-chloro-phenyl) 1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylate CAS Name: 1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylic acid (4-bromo-2-chlorophenyl) ester IUPAC Name: (4-bromo-2-chlorophenyl) 1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylate Traditional Name: 1-mesyl-3,4-dihydro-2H-quinoline-6-carboxylic acid (4-bromo-2-chloro-phenyl) ester Formula: C17H15BrClNO4S MolecularWeight: 444.7273

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)OC3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)OC3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C17H15BrClNO4S/c1-25(22,23)20-8-2-3-11-9-12(4-6-15(11)20)17(21)24-16-7-5-13(18)10-14(16)19/h4-7,9-10H,2-3,8H2,1H3