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

Systemtic Name: N-[[5-[(4-bromophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[[5-[(4-bromophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-(1-piperidylsulfonyl)benzamide CAS Name: N-[[5-[(4-bromophenyl)methylthio]-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[[5-[(4-bromophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[[5-[(4-bromobenzyl)thio]-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-piperidinosulfonyl-benzamide Formula: C28H28BrN5O3S2 MolecularWeight: 626.58762

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=NN=C(N3C4=CC=CC=C4)SCC5=CC=C(C=C5)Br

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=NN=C(N3C4=CC=CC=C4)SCC5=CC=C(C=C5)Br

InChI

InChI=1S/C28H28BrN5O3S2/c29-23-13-9-21(10-14-23)20-38-28-32-31-26(34(28)24-7-3-1-4-8-24)19-30-27(35)22-11-15-25(16-12-22)39(36,37)33-17-5-2-6-18-33/h1,3-4,7-16H,2,5-6,17-20H2,(H,30,35)