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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26ClN3O5S/c1-33(30,31)27-12-10-21(32-20-9-8-18(24)13-19(20)27)23(29)25-14-16-4-6-17(7-5-16)15-26-11-2-3-22(26)28/h4-9,13,21H,2-3,10-12,14-15H2,1H3,(H,25,29)