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

Systemtic Name: 6-tert-butyl-N-[3-[(2-fluorophenyl)methylsulfanyl]propyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 6-tert-butyl-N-[3-[(2-fluorophenyl)methylsulfanyl]propyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 6-tert-butyl-N-[3-[(2-fluorophenyl)methylthio]propyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 6-tert-butyl-N-[3-[(2-fluorophenyl)methylsulfanyl]propyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 6-tert-butyl-N-[3-[(2-fluorobenzyl)thio]propyl]-4-mesyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C24H31FN2O4S2 MolecularWeight: 494.642343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)OC(CN2S(=O)(=O)C)C(=O)NCCCSCC3=CC=CC=C3F

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)OC(CN2S(=O)(=O)C)C(=O)NCCCSCC3=CC=CC=C3F

InChI

InChI=1S/C24H31FN2O4S2/c1-24(2,3)18-10-11-21-20(14-18)27(33(4,29)30)15-22(31-21)23(28)26-12-7-13-32-16-17-8-5-6-9-19(17)25/h5-6,8-11,14,22H,7,12-13,15-16H2,1-4H3,(H,26,28)