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

Systemtic Name: 5-methylsulfonyl-N-[[3-[(2-oxidanylidenepyrrolidin-1-yl)methyl]phenyl]methyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Openeye Name: 5-methylsulfonyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide CAS Name: 5-methylsulfonyl-N-[[3-[(2-oxo-1-pyrrolidinyl)methyl]phenyl]methyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide IUPAC Name: 5-methylsulfonyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Traditional Name: N-[3-[(2-ketopyrrolidino)methyl]benzyl]-5-mesyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Formula: C23H27N3O5S MolecularWeight: 457.54258

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(OC2=CC=CC=C21)C(=O)NCC3=CC=CC(=C3)CN4CCCC4=O

Isomeric SMILES

CS(=O)(=O)N1CCC(OC2=CC=CC=C21)C(=O)NCC3=CC=CC(=C3)CN4CCCC4=O

InChI

InChI=1S/C23H27N3O5S/c1-32(29,30)26-13-11-21(31-20-9-3-2-8-19(20)26)23(28)24-15-17-6-4-7-18(14-17)16-25-12-5-10-22(25)27/h2-4,6-9,14,21H,5,10-13,15-16H2,1H3,(H,24,28)