N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-[2-phenyl-2-(1-pyrrolidinyl)ethyl]-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-(2-phenyl-2-pyrrolidino-ethyl)-1-(2-thienylsulfonyl)isonipecotamide Formula: C22H29N3O3S2 MolecularWeight: 447.61396

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C22H29N3O3S2/c26-22(19-10-14-25(15-11-19)30(27,28)21-9-6-16-29-21)23-17-20(24-12-4-5-13-24)18-7-2-1-3-8-18/h1-3,6-9,16,19-20H,4-5,10-15,17H2,(H,23,26)