(2-chloranyl-7,8-dimethyl-quinolin-3-yl)methyl 2-ethylsulfonylbenzoate

Systemtic Name: (2-chloranyl-7,8-dimethyl-quinolin-3-yl)methyl 2-ethylsulfonylbenzoate Openeye Name: (2-chloro-7,8-dimethyl-3-quinolyl)methyl 2-ethylsulfonylbenzoate CAS Name: 2-ethylsulfonylbenzoic acid (2-chloro-7,8-dimethyl-3-quinolinyl)methyl ester IUPAC Name: (2-chloro-7,8-dimethylquinolin-3-yl)methyl 2-ethylsulfonylbenzoate Traditional Name: 2-esylbenzoic acid (2-chloro-7,8-dimethyl-3-quinolyl)methyl ester Formula: C21H20ClNO4S MolecularWeight: 417.9058

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC=C1C(=O)OCC2=C(N=C3C(=C(C=CC3=C2)C)C)Cl

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC=C1C(=O)OCC2=C(N=C3C(=C(C=CC3=C2)C)C)Cl

InChI

InChI=1S/C21H20ClNO4S/c1-4-28(25,26)18-8-6-5-7-17(18)21(24)27-12-16-11-15-10-9-13(2)14(3)19(15)23-20(16)22/h5-11H,4,12H2,1-3H3