N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-methyl-3-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-methyl-3-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-methyl-3-morpholinosulfonyl-benzamide CAS Name: N-[2-[(2-fluorophenyl)methylthio]ethyl]-4-methyl-3-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[2-[(2-fluorobenzyl)thio]ethyl]-4-methyl-3-morpholinosulfonyl-benzamide Formula: C21H25FN2O4S2 MolecularWeight: 452.562603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCCSCC2=CC=CC=C2F)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCCSCC2=CC=CC=C2F)S(=O)(=O)N3CCOCC3

InChI

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