4-[2-(3,3-dimethylbut-1-ynyl)-6-pyrrolidin-1-yl-pyridin-4-yl]sulfonylaniline

Systemtic Name: 4-[2-(3,3-dimethylbut-1-ynyl)-6-pyrrolidin-1-yl-pyridin-4-yl]sulfonylaniline Openeye Name: 4-[[2-(3,3-dimethylbut-1-ynyl)-6-pyrrolidin-1-yl-4-pyridyl]sulfonyl]aniline CAS Name: 4-[[2-(3,3-dimethylbut-1-ynyl)-6-(1-pyrrolidinyl)-4-pyridinyl]sulfonyl]aniline IUPAC Name: 4-[2-(3,3-dimethylbut-1-ynyl)-6-pyrrolidin-1-ylpyridin-4-yl]sulfonylaniline Traditional Name: [4-[[2-(3,3-dimethylbut-1-ynyl)-6-pyrrolidino-4-pyridyl]sulfonyl]phenyl]amine Formula: C21H25N3O2S MolecularWeight: 383.5071

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C#CC1=CC(=CC(=N1)N2CCCC2)S(=O)(=O)C3=CC=C(C=C3)N

Isomeric SMILES

CC(C)(C)C#CC1=CC(=CC(=N1)N2CCCC2)S(=O)(=O)C3=CC=C(C=C3)N

InChI

InChI=1S/C21H25N3O2S/c1-21(2,3)11-10-17-14-19(15-20(23-17)24-12-4-5-13-24)27(25,26)18-8-6-16(22)7-9-18/h6-9,14-15H,4-5,12-13,22H2,1-3H3