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

Systemtic Name: 4-chloranyl-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: 4-chloro-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(1-piperidylsulfonyl)benzamide CAS Name: 4-chloro-N-[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: 4-chloro-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide Traditional Name: 4-chloro-N-[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]-3-piperidinosulfonyl-benzamide Formula: C22H21ClN4O4S3 MolecularWeight: 537.07454

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=NN=C(S3)SCC(=O)C4=CC=CC=C4)Cl

Isomeric SMILES

C1CCN(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/C22H21ClN4O4S3/c23-17-10-9-16(13-19(17)34(30,31)27-11-5-2-6-12-27)20(29)24-21-25-26-22(33-21)32-14-18(28)15-7-3-1-4-8-15/h1,3-4,7-10,13H,2,5-6,11-12,14H2,(H,24,25,29)