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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]benzamide Formula: C23H23ClN4O4S3 MolecularWeight: 551.10112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=NN=C(S3)SCC(=O)C4=CC=CC=C4)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=NN=C(S3)SCC(=O)C4=CC=CC=C4)Cl

InChI

InChI=1S/C23H23ClN4O4S3/c24-18-11-10-17(14-20(18)35(31,32)28-12-6-1-2-7-13-28)21(30)25-22-26-27-23(34-22)33-15-19(29)16-8-4-3-5-9-16/h3-5,8-11,14H,1-2,6-7,12-13,15H2,(H,25,26,30)