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

Systemtic Name: 6-chloranyl-N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 6-chloro-N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 6-chloro-N-[3-[(4-fluorophenyl)methylthio]propyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 6-chloro-N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 6-chloro-N-[3-[(4-fluorobenzyl)thio]propyl]-4-mesyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C20H22ClFN2O4S2 MolecularWeight: 472.981083

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC(OC2=C1C=C(C=C2)Cl)C(=O)NCCCSCC3=CC=C(C=C3)F

Isomeric SMILES

CS(=O)(=O)N1CC(OC2=C1C=C(C=C2)Cl)C(=O)NCCCSCC3=CC=C(C=C3)F

InChI

InChI=1S/C20H22ClFN2O4S2/c1-30(26,27)24-12-19(28-18-8-5-15(21)11-17(18)24)20(25)23-9-2-10-29-13-14-3-6-16(22)7-4-14/h3-8,11,19H,2,9-10,12-13H2,1H3,(H,23,25)