1-(4-methylphenyl)sulfonyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]piperidine-4-carboxamide

Systemtic Name: 1-(4-methylphenyl)sulfonyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]piperidine-4-carboxamide Openeye Name: 1-(p-tolylsulfonyl)-N-[3-[2-(2-thienyl)ethynyl]phenyl]piperidine-4-carboxamide CAS Name: 1-(4-methylphenyl)sulfonyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-methylphenyl)sulfonyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]piperidine-4-carboxamide Traditional Name: N-[3-[2-(2-thienyl)ethynyl]phenyl]-1-tosyl-isonipecotamide Formula: C25H24N2O3S2 MolecularWeight: 464.59966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CS4

InChI

InChI=1S/C25H24N2O3S2/c1-19-7-11-24(12-8-19)32(29,30)27-15-13-21(14-16-27)25(28)26-22-5-2-4-20(18-22)9-10-23-6-3-17-31-23/h2-8,11-12,17-18,21H,13-16H2,1H3,(H,26,28)