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

Systemtic Name: N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-(1-piperidylsulfonyl)benzamide CAS Name: N-[5-[(4-bromophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-4-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[5-[(4-bromobenzyl)thio]-1,3,4-thiadiazol-2-yl]-4-piperidinosulfonyl-benzamide Formula: C21H21BrN4O3S3 MolecularWeight: 553.51544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrN4O3S3/c22-17-8-4-15(5-9-17)14-30-21-25-24-20(31-21)23-19(27)16-6-10-18(11-7-16)32(28,29)26-12-2-1-3-13-26/h4-11H,1-3,12-14H2,(H,23,24,27)