2-[1-[4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)piperazin-1-yl]ethyl]-1,3-benzothiazole

Systemtic Name: 2-[1-[4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)piperazin-1-yl]ethyl]-1,3-benzothiazole Openeye Name: 2-[1-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)piperazin-1-yl]ethyl]-1,3-benzothiazole CAS Name: 2-[1-[4-[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]-1-piperazinyl]ethyl]-1,3-benzothiazole IUPAC Name: 2-[1-[4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)piperazin-1-yl]ethyl]-1,3-benzothiazole Traditional Name: 2-[1-[4-(5-pyrrolidinosulfonyl-2-pyridyl)piperazino]ethyl]-1,3-benzothiazole Formula: C22H27N5O2S2 MolecularWeight: 457.61208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N3CCN(CC3)C4=NC=C(C=C4)S(=O)(=O)N5CCCC5

Isomeric SMILES

CC(C1=NC2=CC=CC=C2S1)N3CCN(CC3)C4=NC=C(C=C4)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C22H27N5O2S2/c1-17(22-24-19-6-2-3-7-20(19)30-22)25-12-14-26(15-13-25)21-9-8-18(16-23-21)31(28,29)27-10-4-5-11-27/h2-3,6-9,16-17H,4-5,10-15H2,1H3