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

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

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(OC2=CC=CC=C21)C(=O)NCCCSCC3=CC=C(C=C3)F

Isomeric SMILES

CS(=O)(=O)N1CCC(OC2=CC=CC=C21)C(=O)NCCCSCC3=CC=C(C=C3)F

InChI

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