tert-butyl 3-[(3S)-1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-3-yl]propanoate

Systemtic Name: tert-butyl 3-[(3S)-1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-3-yl]propanoate Openeye Name: tert-butyl 3-[(3S)-1-(p-tolylsulfonyl)indolin-3-yl]propanoate CAS Name: 3-[(3S)-1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-3-yl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(3S)-1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-3-yl]propanoate Traditional Name: 3-[(3S)-1-tosylindolin-3-yl]propionic acid tert-butyl ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(C3=CC=CC=C32)CCC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C[C@H](C3=CC=CC=C32)CCC(=O)OC(C)(C)C

InChI

InChI=1S/C22H27NO4S/c1-16-9-12-18(13-10-16)28(25,26)23-15-17(19-7-5-6-8-20(19)23)11-14-21(24)27-22(2,3)4/h5-10,12-13,17H,11,14-15H2,1-4H3/t17-/m1/s1