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

Systemtic Name: 6-chloranyl-4-methylsulfonyl-N-[[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 6-chloro-4-methylsulfonyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 6-chloro-4-methylsulfonyl-N-[[3-(2-oxo-1-pyrrolidinyl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 6-chloro-4-methylsulfonyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 6-chloro-N-[3-(2-ketopyrrolidino)benzyl]-4-mesyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C21H22ClN3O5S MolecularWeight: 463.93448

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC(OC2=C1C=C(C=C2)Cl)C(=O)NCC3=CC(=CC=C3)N4CCCC4=O

Isomeric SMILES

CS(=O)(=O)N1CC(OC2=C1C=C(C=C2)Cl)C(=O)NCC3=CC(=CC=C3)N4CCCC4=O

InChI

InChI=1S/C21H22ClN3O5S/c1-31(28,29)25-13-19(30-18-8-7-15(22)11-17(18)25)21(27)23-12-14-4-2-5-16(10-14)24-9-3-6-20(24)26/h2,4-5,7-8,10-11,19H,3,6,9,12-13H2,1H3,(H,23,27)