N-[[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]-1-propylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]-1-propylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-propylsulfonyl-piperidine-3-carboxamide CAS Name: N-[[3-(2-oxo-1-pyrrolidinyl)phenyl]methyl]-1-propylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-propylsulfonylpiperidine-3-carboxamide Traditional Name: N-[3-(2-ketopyrrolidino)benzyl]-1-propylsulfonyl-nipecotamide Formula: C20H29N3O4S MolecularWeight: 407.52696

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCCC(C1)C(=O)NCC2=CC(=CC=C2)N3CCCC3=O

Isomeric SMILES

CCCS(=O)(=O)N1CCCC(C1)C(=O)NCC2=CC(=CC=C2)N3CCCC3=O

InChI

InChI=1S/C20H29N3O4S/c1-2-12-28(26,27)22-10-4-7-17(15-22)20(25)21-14-16-6-3-8-18(13-16)23-11-5-9-19(23)24/h3,6,8,13,17H,2,4-5,7,9-12,14-15H2,1H3,(H,21,25)