(7-chloranylquinolin-4-yl) 3,4-dimethylbenzenesulfonate

Systemtic Name: (7-chloranylquinolin-4-yl) 3,4-dimethylbenzenesulfonate Openeye Name: (7-chloro-4-quinolyl) 3,4-dimethylbenzenesulfonate CAS Name: 3,4-dimethylbenzenesulfonic acid (7-chloro-4-quinolinyl) ester IUPAC Name: (7-chloroquinolin-4-yl) 3,4-dimethylbenzenesulfonate Traditional Name: 3,4-dimethylbenzenesulfonic acid (7-chloro-4-quinolyl) ester Formula: C17H14ClNO3S MolecularWeight: 347.81596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)OC2=C3C=CC(=CC3=NC=C2)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)OC2=C3C=CC(=CC3=NC=C2)Cl)C

InChI

InChI=1S/C17H14ClNO3S/c1-11-3-5-14(9-12(11)2)23(20,21)22-17-7-8-19-16-10-13(18)4-6-15(16)17/h3-10H,1-2H3