tert-butyl 3-[1-(4-methylphenyl)sulfonylindol-3-yl]propanoate

Systemtic Name: tert-butyl 3-[1-(4-methylphenyl)sulfonylindol-3-yl]propanoate Openeye Name: tert-butyl 3-[1-(p-tolylsulfonyl)indol-3-yl]propanoate CAS Name: 3-[1-(4-methylphenyl)sulfonyl-3-indolyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[1-(4-methylphenyl)sulfonylindol-3-yl]propanoate Traditional Name: 3-(1-tosylindol-3-yl)propionic acid tert-butyl ester Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)CCC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)CCC(=O)OC(C)(C)C

InChI

InChI=1S/C22H25NO4S/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/h5-10,12-13,15H,11,14H2,1-4H3