(2-methylquinolin-8-yl) 5-bromanyl-2-methyl-benzenesulfonate

Systemtic Name: (2-methylquinolin-8-yl) 5-bromanyl-2-methyl-benzenesulfonate Openeye Name: (2-methyl-8-quinolyl) 5-bromo-2-methyl-benzenesulfonate CAS Name: 5-bromo-2-methylbenzenesulfonic acid (2-methyl-8-quinolinyl) ester IUPAC Name: (2-methylquinolin-8-yl) 5-bromo-2-methylbenzenesulfonate Traditional Name: 5-bromo-2-methyl-benzenesulfonic acid (2-methyl-8-quinolyl) ester Formula: C17H14BrNO3S MolecularWeight: 392.26696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Br)S(=O)(=O)OC2=CC=CC3=C2N=C(C=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)Br)S(=O)(=O)OC2=CC=CC3=C2N=C(C=C3)C

InChI

InChI=1S/C17H14BrNO3S/c1-11-6-9-14(18)10-16(11)23(20,21)22-15-5-3-4-13-8-7-12(2)19-17(13)15/h3-10H,1-2H3