5-methylsulfonyl-N-[[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide

Systemtic Name: 5-methylsulfonyl-N-[[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Openeye Name: 5-methylsulfonyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide CAS Name: 5-methylsulfonyl-N-[[3-(2-oxo-1-pyrrolidinyl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide IUPAC Name: 5-methylsulfonyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Traditional Name: N-[3-(2-ketopyrrolidino)benzyl]-5-mesyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(OC2=CC=CC=C21)C(=O)NCC3=CC(=CC=C3)N4CCCC4=O

Isomeric SMILES

CS(=O)(=O)N1CCC(OC2=CC=CC=C21)C(=O)NCC3=CC(=CC=C3)N4CCCC4=O

InChI

InChI=1S/C22H25N3O5S/c1-31(28,29)25-13-11-20(30-19-9-3-2-8-18(19)25)22(27)23-15-16-6-4-7-17(14-16)24-12-5-10-21(24)26/h2-4,6-9,14,20H,5,10-13,15H2,1H3,(H,23,27)