(2-chloranylquinolin-3-yl)methyl 2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate

Systemtic Name: (2-chloranylquinolin-3-yl)methyl 2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Openeye Name: (2-chloro-3-quinolyl)methyl 2-methyl-1-methylsulfonyl-indoline-5-carboxylate CAS Name: 2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylic acid (2-chloro-3-quinolinyl)methyl ester IUPAC Name: (2-chloroquinolin-3-yl)methyl 2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Traditional Name: 1-mesyl-2-methyl-indoline-5-carboxylic acid (2-chloro-3-quinolyl)methyl ester Formula: C21H19ClN2O4S MolecularWeight: 430.90456

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)OCC3=CC4=CC=CC=C4N=C3Cl

Isomeric SMILES

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)OCC3=CC4=CC=CC=C4N=C3Cl

InChI

InChI=1S/C21H19ClN2O4S/c1-13-9-16-11-15(7-8-19(16)24(13)29(2,26)27)21(25)28-12-17-10-14-5-3-4-6-18(14)23-20(17)22/h3-8,10-11,13H,9,12H2,1-2H3