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

Systemtic Name: 2-[1-[1-(phenylmethyl)pyrrolidin-3-yl]sulfonylpiperidin-4-yl]-1,3-benzothiazole Openeye Name: 2-[1-(1-benzylpyrrolidin-3-yl)sulfonyl-4-piperidyl]-1,3-benzothiazole CAS Name: 2-[1-[[1-(phenylmethyl)-3-pyrrolidinyl]sulfonyl]-4-piperidinyl]-1,3-benzothiazole IUPAC Name: 2-[1-(1-benzylpyrrolidin-3-yl)sulfonylpiperidin-4-yl]-1,3-benzothiazole Traditional Name: 2-[1-(1-benzylpyrrolidin-3-yl)sulfonyl-4-piperidyl]-1,3-benzothiazole Formula: C23H27N3O2S2 MolecularWeight: 441.60938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3S2)S(=O)(=O)C4CCN(C4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3S2)S(=O)(=O)C4CCN(C4)CC5=CC=CC=C5

InChI

InChI=1S/C23H27N3O2S2/c27-30(28,20-12-13-25(17-20)16-18-6-2-1-3-7-18)26-14-10-19(11-15-26)23-24-21-8-4-5-9-22(21)29-23/h1-9,19-20H,10-17H2