2-[2,3-bis(oxidanylidene)-5-[2-(phenoxymethyl)pyrrolidin-1-yl]sulfonyl-indol-1-yl]ethanenitrile

Systemtic Name: 2-[2,3-bis(oxidanylidene)-5-[2-(phenoxymethyl)pyrrolidin-1-yl]sulfonyl-indol-1-yl]ethanenitrile Openeye Name: 2-[2,3-dioxo-5-[2-(phenoxymethyl)pyrrolidin-1-yl]sulfonyl-indolin-1-yl]acetonitrile CAS Name: 2-[2,3-dioxo-5-[[2-(phenoxymethyl)-1-pyrrolidinyl]sulfonyl]-1-indolyl]acetonitrile IUPAC Name: 2-[2,3-dioxo-5-[2-(phenoxymethyl)pyrrolidin-1-yl]sulfonylindol-1-yl]acetonitrile Traditional Name: 2-[2,3-diketo-5-[2-(phenoxymethyl)pyrrolidino]sulfonyl-indolin-1-yl]acetonitrile Formula: C21H19N3O5S MolecularWeight: 425.45766

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3=O)CC#N)COC4=CC=CC=C4

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3=O)CC#N)COC4=CC=CC=C4

InChI

InChI=1S/C21H19N3O5S/c22-10-12-23-19-9-8-17(13-18(19)20(25)21(23)26)30(27,28)24-11-4-5-15(24)14-29-16-6-2-1-3-7-16/h1-3,6-9,13,15H,4-5,11-12,14H2