3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-[3-(2-oxo-1-pyrrolidinyl)propyl]propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[3-(2-ketopyrrolidino)propyl]propionamide Formula: C22H33N3O4S MolecularWeight: 435.58012

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCCCN3CCCC3=O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCCCN3CCCC3=O

InChI

InChI=1S/C22H33N3O4S/c26-21(23-14-6-16-24-15-5-7-22(24)27)13-10-19-8-11-20(12-9-19)30(28,29)25-17-3-1-2-4-18-25/h8-9,11-12H,1-7,10,13-18H2,(H,23,26)