3-[4-(benzotriazol-1-yl)piperidin-1-yl]sulfonyl-N-cyclopentyl-benzenesulfonamide

Systemtic Name: 3-[4-(benzotriazol-1-yl)piperidin-1-yl]sulfonyl-N-cyclopentyl-benzenesulfonamide Openeye Name: 3-[[4-(benzotriazol-1-yl)-1-piperidyl]sulfonyl]-N-cyclopentyl-benzenesulfonamide CAS Name: 3-[[4-(1-benzotriazolyl)-1-piperidinyl]sulfonyl]-N-cyclopentylbenzenesulfonamide IUPAC Name: 3-[4-(benzotriazol-1-yl)piperidin-1-yl]sulfonyl-N-cyclopentylbenzenesulfonamide Traditional Name: 3-[4-(benzotriazol-1-yl)piperidino]sulfonyl-N-cyclopentyl-benzenesulfonamide Formula: C22H27N5O4S2 MolecularWeight: 489.61088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NS(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)N3CCC(CC3)N4C5=CC=CC=C5N=N4

Isomeric SMILES

C1CCC(C1)NS(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)N3CCC(CC3)N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C22H27N5O4S2/c28-32(29,24-17-6-1-2-7-17)19-8-5-9-20(16-19)33(30,31)26-14-12-18(13-15-26)27-22-11-4-3-10-21(22)23-25-27/h3-5,8-11,16-18,24H,1-2,6-7,12-15H2