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

Systemtic Name: N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-(1-piperidylsulfonyl)benzamide CAS Name: N-[5-[(4-fluorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[5-[(4-fluorobenzyl)thio]-1,3,4-thiadiazol-2-yl]-3-piperidinosulfonyl-benzamide Formula: C21H21FN4O3S3 MolecularWeight: 492.609843

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)F

InChI

InChI=1S/C21H21FN4O3S3/c22-17-9-7-15(8-10-17)14-30-21-25-24-20(31-21)23-19(27)16-5-4-6-18(13-16)32(28,29)26-11-2-1-3-12-26/h4-10,13H,1-3,11-12,14H2,(H,23,24,27)