3-(methylsulfonylamino)-N-[3-(2-thiophen-2-ylethynyl)phenyl]piperidine-1-carboxamide

Systemtic Name: 3-(methylsulfonylamino)-N-[3-(2-thiophen-2-ylethynyl)phenyl]piperidine-1-carboxamide Openeye Name: 3-(methanesulfonamido)-N-[3-[2-(2-thienyl)ethynyl]phenyl]piperidine-1-carboxamide CAS Name: 3-(methanesulfonamido)-N-[3-(2-thiophen-2-ylethynyl)phenyl]-1-piperidinecarboxamide IUPAC Name: 3-(methanesulfonamido)-N-[3-(2-thiophen-2-ylethynyl)phenyl]piperidine-1-carboxamide Traditional Name: 3-(methanesulfonamido)-N-[3-[2-(2-thienyl)ethynyl]phenyl]piperidine-1-carboxamide Formula: C19H21N3O3S2 MolecularWeight: 403.51834

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1CCCN(C1)C(=O)NC2=CC=CC(=C2)C#CC3=CC=CS3

Isomeric SMILES

CS(=O)(=O)NC1CCCN(C1)C(=O)NC2=CC=CC(=C2)C#CC3=CC=CS3

InChI

InChI=1S/C19H21N3O3S2/c1-27(24,25)21-17-7-3-11-22(14-17)19(23)20-16-6-2-5-15(13-16)9-10-18-8-4-12-26-18/h2,4-6,8,12-13,17,21H,3,7,11,14H2,1H3,(H,20,23)