(2-chloranyl-7-methoxy-quinolin-3-yl)methyl 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate

Systemtic Name: (2-chloranyl-7-methoxy-quinolin-3-yl)methyl 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Openeye Name: (2-chloro-7-methoxy-3-quinolyl)methyl 1-methylsulfonylindoline-5-carboxylate CAS Name: 1-methylsulfonyl-2,3-dihydroindole-5-carboxylic acid (2-chloro-7-methoxy-3-quinolinyl)methyl ester IUPAC Name: (2-chloro-7-methoxyquinolin-3-yl)methyl 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Traditional Name: 1-mesylindoline-5-carboxylic acid (2-chloro-7-methoxy-3-quinolyl)methyl ester Formula: C21H19ClN2O5S MolecularWeight: 446.90396

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC(=C(C=C2C=C1)COC(=O)C3=CC4=C(C=C3)N(CC4)S(=O)(=O)C)Cl

Isomeric SMILES

COC1=CC2=NC(=C(C=C2C=C1)COC(=O)C3=CC4=C(C=C3)N(CC4)S(=O)(=O)C)Cl

InChI

InChI=1S/C21H19ClN2O5S/c1-28-17-5-3-13-9-16(20(22)23-18(13)11-17)12-29-21(25)15-4-6-19-14(10-15)7-8-24(19)30(2,26)27/h3-6,9-11H,7-8,12H2,1-2H3