(E)-3-[1-(2-cyanoethyl)indol-3-yl]-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile

Systemtic Name: (E)-3-[1-(2-cyanoethyl)indol-3-yl]-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile Openeye Name: (E)-3-[1-(2-cyanoethyl)indol-3-yl]-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: (E)-3-[1-(2-cyanoethyl)-3-indolyl]-2-(4-methylphenyl)sulfonyl-2-propenenitrile IUPAC Name: (E)-3-[1-(2-cyanoethyl)indol-3-yl]-2-(4-methylphenyl)sulfonylprop-2-enenitrile Traditional Name: (E)-3-[1-(2-cyanoethyl)indol-3-yl]-2-tosyl-acrylonitrile Formula: C21H17N3O2S MolecularWeight: 375.44358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=CN(C3=CC=CC=C32)CCC#N)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/C(=C/C2=CN(C3=CC=CC=C32)CCC#N)/C#N

InChI

InChI=1S/C21H17N3O2S/c1-16-7-9-18(10-8-16)27(25,26)19(14-23)13-17-15-24(12-4-11-22)21-6-3-2-5-20(17)21/h2-3,5-10,13,15H,4,12H2,1H3/b19-13+