4-chloranyl-3-morpholin-4-ylsulfonyl-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide

Systemtic Name: 4-chloranyl-3-morpholin-4-ylsulfonyl-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: 4-chloro-3-morpholinosulfonyl-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide CAS Name: 4-chloro-3-(4-morpholinylsulfonyl)-N-[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-chloro-3-morpholin-4-ylsulfonyl-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: 4-chloro-3-morpholinosulfonyl-N-[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]benzamide Formula: C21H19ClN4O5S3 MolecularWeight: 539.04736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=NN=C(S3)SCC(=O)C4=CC=CC=C4)Cl

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=NN=C(S3)SCC(=O)C4=CC=CC=C4)Cl

InChI

InChI=1S/C21H19ClN4O5S3/c22-16-7-6-15(12-18(16)34(29,30)26-8-10-31-11-9-26)19(28)23-20-24-25-21(33-20)32-13-17(27)14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,23,24,28)