2-(tert-butylamino)-3-[1-(4-methylphenyl)sulfonylindol-3-yl]propanenitrile

Systemtic Name: 2-(tert-butylamino)-3-[1-(4-methylphenyl)sulfonylindol-3-yl]propanenitrile Openeye Name: 2-(tert-butylamino)-3-[1-(p-tolylsulfonyl)indol-3-yl]propanenitrile CAS Name: 2-(tert-butylamino)-3-[1-(4-methylphenyl)sulfonyl-3-indolyl]propanenitrile IUPAC Name: 2-(tert-butylamino)-3-[1-(4-methylphenyl)sulfonylindol-3-yl]propanenitrile Traditional Name: 2-(tert-butylamino)-3-(1-tosylindol-3-yl)propionitrile Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)CC(C#N)NC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)CC(C#N)NC(C)(C)C

InChI

InChI=1S/C22H25N3O2S/c1-16-9-11-19(12-10-16)28(26,27)25-15-17(20-7-5-6-8-21(20)25)13-18(14-23)24-22(2,3)4/h5-12,15,18,24H,13H2,1-4H3