(3,4-dimethylphenyl) (2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate

Systemtic Name: (3,4-dimethylphenyl) (2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Openeye Name: (3,4-dimethylphenyl) (2R)-2-methyl-1-methylsulfonyl-indoline-5-carboxylate CAS Name: (2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylic acid (3,4-dimethylphenyl) ester IUPAC Name: (3,4-dimethylphenyl) (2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Traditional Name: (2R)-1-mesyl-2-methyl-indoline-5-carboxylic acid (3,4-dimethylphenyl) ester Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)OC3=CC(=C(C=C3)C)C

Isomeric SMILES

C[C@@H]1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)OC3=CC(=C(C=C3)C)C

InChI

InChI=1S/C19H21NO4S/c1-12-5-7-17(9-13(12)2)24-19(21)15-6-8-18-16(11-15)10-14(3)20(18)25(4,22)23/h5-9,11,14H,10H2,1-4H3/t14-/m1/s1