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

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 1-methylsulfonylindoline-5-carboxylate CAS Name: 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 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Traditional Name: 1-mesylindoline-5-carboxylic acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C22H20N4O4S MolecularWeight: 436.4836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)COC(=O)C2=CC3=C(C=C2)N(CC3)S(=O)(=O)C)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C#N)COC(=O)C2=CC3=C(C=C2)N(CC3)S(=O)(=O)C)C4=CC=CC=C4

InChI

InChI=1S/C22H20N4O4S/c1-15-19(13-23)21(26(24-15)18-6-4-3-5-7-18)14-30-22(27)17-8-9-20-16(12-17)10-11-25(20)31(2,28)29/h3-9,12H,10-11,14H2,1-2H3