3-(1H-indol-3-yl)-2-(1H-indol-3-ylmethyl)-2-(4-methylphenyl)sulfonyl-propanenitrile

Systemtic Name: 3-(1H-indol-3-yl)-2-(1H-indol-3-ylmethyl)-2-(4-methylphenyl)sulfonyl-propanenitrile Openeye Name: 3-(1H-indol-3-yl)-2-(1H-indol-3-ylmethyl)-2-(p-tolylsulfonyl)propanenitrile CAS Name: 3-(1H-indol-3-yl)-2-(1H-indol-3-ylmethyl)-2-(4-methylphenyl)sulfonylpropanenitrile IUPAC Name: 3-(1H-indol-3-yl)-2-(1H-indol-3-ylmethyl)-2-(4-methylphenyl)sulfonylpropanenitrile Traditional Name: 3-(1H-indol-3-yl)-2-(1H-indol-3-ylmethyl)-2-tosyl-propionitrile Formula: C27H23N3O2S MolecularWeight: 453.55542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CC2=CNC3=CC=CC=C32)(CC4=CNC5=CC=CC=C54)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CC2=CNC3=CC=CC=C32)(CC4=CNC5=CC=CC=C54)C#N

InChI

InChI=1S/C27H23N3O2S/c1-19-10-12-22(13-11-19)33(31,32)27(18-28,14-20-16-29-25-8-4-2-6-23(20)25)15-21-17-30-26-9-5-3-7-24(21)26/h2-13,16-17,29-30H,14-15H2,1H3