2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-[4-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(4-piperidinosulfonylphenyl)acetamide Formula: C21H22BrN5O3S2 MolecularWeight: 536.46508

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NNC(=N3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NNC(=N3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H22BrN5O3S2/c22-16-6-4-15(5-7-16)20-24-21(26-25-20)31-14-19(28)23-17-8-10-18(11-9-17)32(29,30)27-12-2-1-3-13-27/h4-11H,1-3,12-14H2,(H,23,28)(H,24,25,26)