4-[2-(2-phenylethynyl)-6-pyrrolidin-1-yl-pyridin-4-yl]sulfonylaniline

Systemtic Name: 4-[2-(2-phenylethynyl)-6-pyrrolidin-1-yl-pyridin-4-yl]sulfonylaniline Openeye Name: 4-[[2-(2-phenylethynyl)-6-pyrrolidin-1-yl-4-pyridyl]sulfonyl]aniline CAS Name: 4-[[2-(2-phenylethynyl)-6-(1-pyrrolidinyl)-4-pyridinyl]sulfonyl]aniline IUPAC Name: 4-[2-(2-phenylethynyl)-6-pyrrolidin-1-ylpyridin-4-yl]sulfonylaniline Traditional Name: [4-[[2-(2-phenylethynyl)-6-pyrrolidino-4-pyridyl]sulfonyl]phenyl]amine Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC(=CC(=C2)S(=O)(=O)C3=CC=C(C=C3)N)C#CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C2=NC(=CC(=C2)S(=O)(=O)C3=CC=C(C=C3)N)C#CC4=CC=CC=C4

InChI

InChI=1S/C23H21N3O2S/c24-19-9-12-21(13-10-19)29(27,28)22-16-20(11-8-18-6-2-1-3-7-18)25-23(17-22)26-14-4-5-15-26/h1-3,6-7,9-10,12-13,16-17H,4-5,14-15,24H2