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

Systemtic Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-methoxy-5-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-methoxy-5-morpholinosulfonyl-benzamide CAS Name: N-[5-[(4-cyanophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-2-methoxy-5-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[5-[(4-cyanobenzyl)thio]-1,3,4-thiadiazol-2-yl]-2-methoxy-5-morpholinosulfonyl-benzamide Formula: C22H21N5O5S3 MolecularWeight: 531.62764

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)C#N

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H21N5O5S3/c1-31-19-7-6-17(35(29,30)27-8-10-32-11-9-27)12-18(19)20(28)24-21-25-26-22(34-21)33-14-16-4-2-15(13-23)3-5-16/h2-7,12H,8-11,14H2,1H3,(H,24,25,28)