N-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-methoxy-3-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-methoxy-3-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-methoxy-3-morpholinosulfonyl-benzamide CAS Name: N-[5-[(2-fluorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-4-methoxy-3-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[5-[(2-fluorobenzyl)thio]-1,3,4-thiadiazol-2-yl]-4-methoxy-3-morpholinosulfonyl-benzamide Formula: C21H21FN4O5S3 MolecularWeight: 524.608643

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3F)S(=O)(=O)N4CCOCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3F)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H21FN4O5S3/c1-30-17-7-6-14(12-18(17)34(28,29)26-8-10-31-11-9-26)19(27)23-20-24-25-21(33-20)32-13-15-4-2-3-5-16(15)22/h2-7,12H,8-11,13H2,1H3,(H,23,24,27)