1-[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]cinnolin-4-one

Systemtic Name: 1-[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]cinnolin-4-one Openeye Name: 1-[2-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-oxo-ethyl]cinnolin-4-one CAS Name: 1-[2-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-oxoethyl]-4-cinnolinone IUPAC Name: 1-[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]cinnolin-4-one Traditional Name: 1-[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidino]-2-keto-ethyl]cinnolin-4-one Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CN2C3=CC=CC=C3C(=O)C=N2)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@H](CN(C1)C(=O)CN2C3=CC=CC=C3C(=O)C=N2)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H20N4O2S/c27-19-12-23-26(18-9-3-1-7-16(18)19)14-21(28)25-11-5-6-15(13-25)22-24-17-8-2-4-10-20(17)29-22/h1-4,7-10,12,15H,5-6,11,13-14H2/t15-/m1/s1