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

Systemtic Name: N-[(3-pyrrolidin-1-ylcarbonylphenyl)methyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: N-[[3-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-[3-(pyrrolidine-1-carbonyl)benzyl]-1-(2-thienylsulfonyl)nipecotamide Formula: C22H27N3O4S2 MolecularWeight: 461.59748

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC(=CC=C2)CNC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC(=CC=C2)CNC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C22H27N3O4S2/c26-21(19-8-4-12-25(16-19)31(28,29)20-9-5-13-30-20)23-15-17-6-3-7-18(14-17)22(27)24-10-1-2-11-24/h3,5-7,9,13-14,19H,1-2,4,8,10-12,15-16H2,(H,23,26)