N-(3-pyrrolidin-1-ylquinoxalin-2-yl)-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(3-pyrrolidin-1-ylquinoxalin-2-yl)-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-(3-pyrrolidin-1-ylquinoxalin-2-yl)-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-[3-(1-pyrrolidinyl)-2-quinoxalinyl]-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3-pyrrolidin-1-ylquinoxalin-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-(3-pyrrolidinoquinoxalin-2-yl)-1-(2-thienylsulfonyl)isonipecotamide Formula: C22H25N5O3S2 MolecularWeight: 471.5956

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC3=CC=CC=C3N=C2NC(=O)C4CCN(CC4)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

C1CCN(C1)C2=NC3=CC=CC=C3N=C2NC(=O)C4CCN(CC4)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C22H25N5O3S2/c28-22(16-9-13-27(14-10-16)32(29,30)19-8-5-15-31-19)25-20-21(26-11-3-4-12-26)24-18-7-2-1-6-17(18)23-20/h1-2,5-8,15-16H,3-4,9-14H2,(H,23,25,28)