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

Systemtic Name: N-[3-[(2-fluorophenyl)methylsulfanyl]propyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Openeye Name: N-[3-[(2-fluorophenyl)methylsulfanyl]propyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide CAS Name: N-[3-[(2-fluorophenyl)methylthio]propyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide IUPAC Name: N-[3-[(2-fluorophenyl)methylsulfanyl]propyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Traditional Name: N-[3-[(2-fluorobenzyl)thio]propyl]-5-mesyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Formula: C21H25FN2O4S2 MolecularWeight: 452.562603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(OC2=CC=CC=C21)C(=O)NCCCSCC3=CC=CC=C3F

Isomeric SMILES

CS(=O)(=O)N1CCC(OC2=CC=CC=C21)C(=O)NCCCSCC3=CC=CC=C3F

InChI

InChI=1S/C21H25FN2O4S2/c1-30(26,27)24-13-11-20(28-19-10-5-4-9-18(19)24)21(25)23-12-6-14-29-15-16-7-2-3-8-17(16)22/h2-5,7-10,20H,6,11-15H2,1H3,(H,23,25)