[2-oxidanylidene-2-(2-oxidanylidenepyrrolidin-1-yl)ethyl] 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate

Systemtic Name: [2-oxidanylidene-2-(2-oxidanylidenepyrrolidin-1-yl)ethyl] 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate Openeye Name: [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]propanoic acid [2-oxo-2-(2-oxo-1-pyrrolidinyl)ethyl] ester IUPAC Name: [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]propionic acid [2-keto-2-(2-ketopyrrolidino)ethyl] ester Formula: C21H28N2O6S MolecularWeight: 436.52182

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC(=O)N3CCCC3=O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC(=O)N3CCCC3=O

InChI

InChI=1S/C21H28N2O6S/c24-19-6-5-15-23(19)20(25)16-29-21(26)12-9-17-7-10-18(11-8-17)30(27,28)22-13-3-1-2-4-14-22/h7-8,10-11H,1-6,9,12-16H2