N-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-[[4-(2-oxo-1-pyrrolidinyl)phenyl]methyl]-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[4-(2-ketopyrrolidino)benzyl]-1-(2-thienylsulfonyl)isonipecotamide Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)CNC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)CNC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H25N3O4S2/c25-19-3-1-11-24(19)18-7-5-16(6-8-18)15-22-21(26)17-9-12-23(13-10-17)30(27,28)20-4-2-14-29-20/h2,4-8,14,17H,1,3,9-13,15H2,(H,22,26)