N-[2-(3,3-dimethylbut-1-ynyl)-6-pyrrolidin-1-yl-phenyl]pyridine-4-sulfonamide

Systemtic Name: N-[2-(3,3-dimethylbut-1-ynyl)-6-pyrrolidin-1-yl-phenyl]pyridine-4-sulfonamide Openeye Name: N-[2-(3,3-dimethylbut-1-ynyl)-6-pyrrolidin-1-yl-phenyl]pyridine-4-sulfonamide CAS Name: N-[2-(3,3-dimethylbut-1-ynyl)-6-(1-pyrrolidinyl)phenyl]-4-pyridinesulfonamide IUPAC Name: N-[2-(3,3-dimethylbut-1-ynyl)-6-pyrrolidin-1-ylphenyl]pyridine-4-sulfonamide Traditional Name: N-[2-(3,3-dimethylbut-1-ynyl)-6-pyrrolidino-phenyl]pyridine-4-sulfonamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C#CC1=C(C(=CC=C1)N2CCCC2)NS(=O)(=O)C3=CC=NC=C3

Isomeric SMILES

CC(C)(C)C#CC1=C(C(=CC=C1)N2CCCC2)NS(=O)(=O)C3=CC=NC=C3

InChI

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