N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-methoxy-5-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-methoxy-5-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-methoxy-5-morpholinosulfonyl-benzamide CAS Name: N-[2-[(2-fluorophenyl)methylthio]ethyl]-2-methoxy-5-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[2-[(2-fluorobenzyl)thio]ethyl]-2-methoxy-5-morpholinosulfonyl-benzamide Formula: C21H25FN2O5S2 MolecularWeight: 468.562003

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NCCSCC3=CC=CC=C3F

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NCCSCC3=CC=CC=C3F

InChI

InChI=1S/C21H25FN2O5S2/c1-28-20-7-6-17(31(26,27)24-9-11-29-12-10-24)14-18(20)21(25)23-8-13-30-15-16-4-2-3-5-19(16)22/h2-7,14H,8-13,15H2,1H3,(H,23,25)