7-chloranyl-N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide

Systemtic Name: 7-chloranyl-N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Openeye Name: 7-chloro-N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide CAS Name: 7-chloro-N-[3-[(4-fluorophenyl)methylthio]propyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide IUPAC Name: 7-chloro-N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Traditional Name: 7-chloro-N-[3-[(4-fluorobenzyl)thio]propyl]-5-mesyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Formula: C21H24ClFN2O4S2 MolecularWeight: 487.007663

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(OC2=C1C=C(C=C2)Cl)C(=O)NCCCSCC3=CC=C(C=C3)F

Isomeric SMILES

CS(=O)(=O)N1CCC(OC2=C1C=C(C=C2)Cl)C(=O)NCCCSCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H24ClFN2O4S2/c1-31(27,28)25-11-9-20(29-19-8-5-16(22)13-18(19)25)21(26)24-10-2-12-30-14-15-3-6-17(23)7-4-15/h3-8,13,20H,2,9-12,14H2,1H3,(H,24,26)