6-tert-butyl-4-methylsulfonyl-N-[[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: 6-tert-butyl-4-methylsulfonyl-N-[[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 6-tert-butyl-4-methylsulfonyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 6-tert-butyl-4-methylsulfonyl-N-[[3-(2-oxo-1-pyrrolidinyl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 6-tert-butyl-4-methylsulfonyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 6-tert-butyl-N-[3-(2-ketopyrrolidino)benzyl]-4-mesyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C25H31N3O5S MolecularWeight: 485.59574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)OC(CN2S(=O)(=O)C)C(=O)NCC3=CC(=CC=C3)N4CCCC4=O

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)OC(CN2S(=O)(=O)C)C(=O)NCC3=CC(=CC=C3)N4CCCC4=O

InChI

InChI=1S/C25H31N3O5S/c1-25(2,3)18-10-11-21-20(14-18)28(34(4,31)32)16-22(33-21)24(30)26-15-17-7-5-8-19(13-17)27-12-6-9-23(27)29/h5,7-8,10-11,13-14,22H,6,9,12,15-16H2,1-4H3,(H,26,30)