N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-[[4-(1-pyrrolidinylmethyl)phenyl]methyl]-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[4-(pyrrolidinomethyl)benzyl]-1-(2-thienylsulfonyl)isonipecotamide Formula: C22H29N3O3S2 MolecularWeight: 447.61396

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=C(C=C2)CNC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CCN(C1)CC2=CC=C(C=C2)CNC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C22H29N3O3S2/c26-22(20-9-13-25(14-10-20)30(27,28)21-4-3-15-29-21)23-16-18-5-7-19(8-6-18)17-24-11-1-2-12-24/h3-8,15,20H,1-2,9-14,16-17H2,(H,23,26)