2-[1-(3-piperidin-1-ylsulfonylphenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole

Systemtic Name: 2-[1-(3-piperidin-1-ylsulfonylphenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole Openeye Name: 2-[1-[3-(1-piperidylsulfonyl)phenyl]sulfonyl-4-piperidyl]-1,3-benzothiazole CAS Name: 2-[1-[3-(1-piperidinylsulfonyl)phenyl]sulfonyl-4-piperidinyl]-1,3-benzothiazole IUPAC Name: 2-[1-(3-piperidin-1-ylsulfonylphenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole Traditional Name: 2-[1-(3-piperidinosulfonylphenyl)sulfonyl-4-piperidyl]-1,3-benzothiazole Formula: C23H27N3O4S3 MolecularWeight: 505.67318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC(CC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC(CC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H27N3O4S3/c27-32(28,25-13-4-1-5-14-25)19-7-6-8-20(17-19)33(29,30)26-15-11-18(12-16-26)23-24-21-9-2-3-10-22(21)31-23/h2-3,6-10,17-18H,1,4-5,11-16H2