4-[4-[4-(1,2,4-triazol-1-yl)phenyl]carbonylpiperazin-1-yl]sulfonylbenzenesulfonamide

Systemtic Name: 4-[4-[4-(1,2,4-triazol-1-yl)phenyl]carbonylpiperazin-1-yl]sulfonylbenzenesulfonamide Openeye Name: 4-[4-[4-(1,2,4-triazol-1-yl)benzoyl]piperazin-1-yl]sulfonylbenzenesulfonamide CAS Name: 4-[[4-[oxo-[4-(1,2,4-triazol-1-yl)phenyl]methyl]-1-piperazinyl]sulfonyl]benzenesulfonamide IUPAC Name: 4-[4-[4-(1,2,4-triazol-1-yl)benzoyl]piperazin-1-yl]sulfonylbenzenesulfonamide Traditional Name: 4-[4-[4-(1,2,4-triazol-1-yl)benzoyl]piperazino]sulfonylbenzenesulfonamide Formula: C19H20N6O5S2 MolecularWeight: 476.5293

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=C(C=C2)N3C=NC=N3)S(=O)(=O)C4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=C(C=C2)N3C=NC=N3)S(=O)(=O)C4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C19H20N6O5S2/c20-31(27,28)17-5-7-18(8-6-17)32(29,30)24-11-9-23(10-12-24)19(26)15-1-3-16(4-2-15)25-14-21-13-22-25/h1-8,13-14H,9-12H2,(H2,20,27,28)