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

Systemtic Name: 7-chloranyl-5-methylsulfonyl-N-[[3-[(2-oxidanylidenepyrrolidin-1-yl)methyl]phenyl]methyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Openeye Name: 7-chloro-5-methylsulfonyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide CAS Name: 7-chloro-5-methylsulfonyl-N-[[3-[(2-oxo-1-pyrrolidinyl)methyl]phenyl]methyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide IUPAC Name: 7-chloro-5-methylsulfonyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Traditional Name: 7-chloro-N-[3-[(2-ketopyrrolidino)methyl]benzyl]-5-mesyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Formula: C23H26ClN3O5S MolecularWeight: 491.98764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(OC2=C1C=C(C=C2)Cl)C(=O)NCC3=CC=CC(=C3)CN4CCCC4=O

Isomeric SMILES

CS(=O)(=O)N1CCC(OC2=C1C=C(C=C2)Cl)C(=O)NCC3=CC=CC(=C3)CN4CCCC4=O

InChI

InChI=1S/C23H26ClN3O5S/c1-33(30,31)27-11-9-21(32-20-8-7-18(24)13-19(20)27)23(29)25-14-16-4-2-5-17(12-16)15-26-10-3-6-22(26)28/h2,4-5,7-8,12-13,21H,3,6,9-11,14-15H2,1H3,(H,25,29)