(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2-methyl-1-methylsulfonyl-indoline-5-carboxylate CAS Name: 2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl 2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Traditional Name: 1-mesyl-2-methyl-indoline-5-carboxylic acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C23H22N4O4S MolecularWeight: 450.51018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)OCC3=C(C(=NN3C4=CC=CC=C4)C)C#N

Isomeric SMILES

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)OCC3=C(C(=NN3C4=CC=CC=C4)C)C#N

InChI

InChI=1S/C23H22N4O4S/c1-15-11-18-12-17(9-10-21(18)27(15)32(3,29)30)23(28)31-14-22-20(13-24)16(2)25-26(22)19-7-5-4-6-8-19/h4-10,12,15H,11,14H2,1-3H3