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

Systemtic Name: 6-chloranyl-4-methylsulfonyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 6-chloro-4-methylsulfonyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 6-chloro-4-methylsulfonyl-N-[[4-(1-pyrrolidinylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 6-chloro-4-methylsulfonyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 6-chloro-4-mesyl-N-[4-(pyrrolidinomethyl)benzyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C22H26ClN3O4S MolecularWeight: 463.97754

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC(OC2=C1C=C(C=C2)Cl)C(=O)NCC3=CC=C(C=C3)CN4CCCC4

Isomeric SMILES

CS(=O)(=O)N1CC(OC2=C1C=C(C=C2)Cl)C(=O)NCC3=CC=C(C=C3)CN4CCCC4

InChI

InChI=1S/C22H26ClN3O4S/c1-31(28,29)26-15-21(30-20-9-8-18(23)12-19(20)26)22(27)24-13-16-4-6-17(7-5-16)14-25-10-2-3-11-25/h4-9,12,21H,2-3,10-11,13-15H2,1H3,(H,24,27)