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

Systemtic Name: 1-(phenylsulfonyl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]piperidine-3-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[3-[2-(2-thienyl)ethynyl]phenyl]piperidine-3-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]-3-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]piperidine-3-carboxamide Traditional Name: 1-besyl-N-[3-[2-(2-thienyl)ethynyl]phenyl]nipecotamide Formula: C24H22N2O3S2 MolecularWeight: 450.57308

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CS4

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CS4

InChI

InChI=1S/C24H22N2O3S2/c27-24(25-21-9-4-7-19(17-21)13-14-22-10-6-16-30-22)20-8-5-15-26(18-20)31(28,29)23-11-2-1-3-12-23/h1-4,6-7,9-12,16-17,20H,5,8,15,18H2,(H,25,27)