(2S)-3-[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2-(1-methylbenzimidazol-2-yl)-3-oxidanylidene-propanenitrile

Systemtic Name: (2S)-3-[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2-(1-methylbenzimidazol-2-yl)-3-oxidanylidene-propanenitrile Openeye Name: (2S)-3-(3-indolin-1-ylsulfonylphenyl)-2-(1-methylbenzimidazol-2-yl)-3-oxo-propanenitrile CAS Name: (2S)-3-[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2-(1-methyl-2-benzimidazolyl)-3-oxopropanenitrile IUPAC Name: (2S)-3-[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2-(1-methylbenzimidazol-2-yl)-3-oxopropanenitrile Traditional Name: (2S)-3-(3-indolin-1-ylsulfonylphenyl)-3-keto-2-(1-methylbenzimidazol-2-yl)propionitrile Formula: C25H20N4O3S MolecularWeight: 456.5163

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C(C#N)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCC5=CC=CC=C54

Isomeric SMILES

CN1C2=CC=CC=C2N=C1[C@H](C#N)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCC5=CC=CC=C54

InChI

InChI=1S/C25H20N4O3S/c1-28-23-12-5-3-10-21(23)27-25(28)20(16-26)24(30)18-8-6-9-19(15-18)33(31,32)29-14-13-17-7-2-4-11-22(17)29/h2-12,15,20H,13-14H2,1H3/t20-/m1/s1