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

Systemtic Name: 2-[1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole Openeye Name: 2-[1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-4-piperidyl]-1,3-benzothiazole CAS Name: 2-[1-[3-(1-pyrrolidinylsulfonyl)phenyl]sulfonyl-4-piperidinyl]-1,3-benzothiazole IUPAC Name: 2-[1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole Traditional Name: 2-[1-(3-pyrrolidinosulfonylphenyl)sulfonyl-4-piperidyl]-1,3-benzothiazole Formula: C22H25N3O4S3 MolecularWeight: 491.6466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC(CC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC(CC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H25N3O4S3/c26-31(27,24-12-3-4-13-24)18-6-5-7-19(16-18)32(28,29)25-14-10-17(11-15-25)22-23-20-8-1-2-9-21(20)30-22/h1-2,5-9,16-17H,3-4,10-15H2