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

Systemtic Name: N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: N-[3-[(4-fluorophenyl)methylthio]propyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: N-[3-[(4-fluorobenzyl)thio]propyl]-4-mesyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C20H23FN2O4S2 MolecularWeight: 438.536023

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC(OC2=CC=CC=C21)C(=O)NCCCSCC3=CC=C(C=C3)F

Isomeric SMILES

CS(=O)(=O)N1CC(OC2=CC=CC=C21)C(=O)NCCCSCC3=CC=C(C=C3)F

InChI

InChI=1S/C20H23FN2O4S2/c1-29(25,26)23-13-19(27-18-6-3-2-5-17(18)23)20(24)22-11-4-12-28-14-15-7-9-16(21)10-8-15/h2-3,5-10,19H,4,11-14H2,1H3,(H,22,24)