[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate

Systemtic Name: [4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Openeye Name: [4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 1-methylsulfonylindoline-5-carboxylate CAS Name: 1-methylsulfonyl-2,3-dihydroindole-5-carboxylic acid [4-(3,5-dimethyl-1-pyrazolyl)phenyl]methyl ester IUPAC Name: [4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Traditional Name: 1-mesylindoline-5-carboxylic acid [4-(3,5-dimethylpyrazol-1-yl)benzyl] ester Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)COC(=O)C3=CC4=C(C=C3)N(CC4)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)COC(=O)C3=CC4=C(C=C3)N(CC4)S(=O)(=O)C)C

InChI

InChI=1S/C22H23N3O4S/c1-15-12-16(2)25(23-15)20-7-4-17(5-8-20)14-29-22(26)19-6-9-21-18(13-19)10-11-24(21)30(3,27)28/h4-9,12-13H,10-11,14H2,1-3H3