[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxidanylidene-ethyl] 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate

Systemtic Name: [2-[4-[(2S)-butan-2-yl]phenyl]-2-oxidanylidene-ethyl] 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Openeye Name: [2-[4-[(1S)-1-methylpropyl]phenyl]-2-oxo-ethyl] 1-methylsulfonylindoline-5-carboxylate CAS Name: 1-methylsulfonyl-2,3-dihydroindole-5-carboxylic acid [2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl] 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Traditional Name: 1-mesylindoline-5-carboxylic acid [2-keto-2-[4-[(1S)-1-methylpropyl]phenyl]ethyl] ester Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(=O)COC(=O)C2=CC3=C(C=C2)N(CC3)S(=O)(=O)C

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)C(=O)COC(=O)C2=CC3=C(C=C2)N(CC3)S(=O)(=O)C

InChI

InChI=1S/C22H25NO5S/c1-4-15(2)16-5-7-17(8-6-16)21(24)14-28-22(25)19-9-10-20-18(13-19)11-12-23(20)29(3,26)27/h5-10,13,15H,4,11-12,14H2,1-3H3/t15-/m0/s1