N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: N-[[2-(1-pyrrolidinylmethyl)phenyl]methyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-[2-(pyrrolidinomethyl)benzyl]-1-(2-thienylsulfonyl)nipecotamide Formula: C22H29N3O3S2 MolecularWeight: 447.61396

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=CC=C2CNC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CCN(C1)CC2=CC=CC=C2CNC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4

InChI

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