N-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[[4-(2-oxo-1-pyrrolidinyl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[4-(2-ketopyrrolidino)benzyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)CNS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)CNS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C20H22N2O5S/c23-20-3-1-10-22(20)16-6-4-15(5-7-16)14-21-28(24,25)17-8-9-18-19(13-17)27-12-2-11-26-18/h4-9,13,21H,1-3,10-12,14H2