1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]piperidine-4-carboxamide

Systemtic Name: 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]piperidine-4-carboxamide Openeye Name: 1-indan-5-ylsulfonyl-N-[3-[2-(2-pyridyl)ethynyl]phenyl]piperidine-4-carboxamide CAS Name: 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[3-[2-(2-pyridinyl)ethynyl]phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]piperidine-4-carboxamide Traditional Name: 1-indan-5-ylsulfonyl-N-[3-[2-(2-pyridyl)ethynyl]phenyl]isonipecotamide Formula: C28H27N3O3S MolecularWeight: 485.59728

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC4=CC=CC(=C4)C#CC5=CC=CC=N5

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC4=CC=CC(=C4)C#CC5=CC=CC=N5

InChI

InChI=1S/C28H27N3O3S/c32-28(30-26-9-3-5-21(19-26)10-12-25-8-1-2-16-29-25)23-14-17-31(18-15-23)35(33,34)27-13-11-22-6-4-7-24(22)20-27/h1-3,5,8-9,11,13,16,19-20,23H,4,6-7,14-15,17-18H2,(H,30,32)