3-ethyl-6-methyl-4-[5-[3-(2-pyridin-2-ylethyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1H-pyridin-2-one dihydrochloride

Systemtic Name: 3-ethyl-6-methyl-4-[5-[3-(2-pyridin-2-ylethyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1H-pyridin-2-one dihydrochloride Openeye Name: 3-ethyl-6-methyl-4-[5-[3-[2-(2-pyridyl)ethyl]piperazin-1-yl]sulfonyl-2-thienyl]-1H-pyridin-2-one dihydrochloride CAS Name: 3-ethyl-6-methyl-4-[5-[[3-[2-(2-pyridinyl)ethyl]-1-piperazinyl]sulfonyl]-2-thiophenyl]-1H-pyridin-2-one dihydrochloride IUPAC Name: 3-ethyl-6-methyl-4-[5-[3-(2-pyridin-2-ylethyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1H-pyridin-2-one dihydrochloride Traditional Name: 3-ethyl-6-methyl-4-[5-[3-[2-(2-pyridyl)ethyl]piperazino]sulfonyl-2-thienyl]-2-pyridone dihydrochloride Formula: C23H30Cl2N4O3S2 MolecularWeight: 545.5453

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(NC1=O)C)C2=CC=C(S2)S(=O)(=O)N3CCNC(C3)CCC4=CC=CC=N4.Cl.Cl

Isomeric SMILES

CCC1=C(C=C(NC1=O)C)C2=CC=C(S2)S(=O)(=O)N3CCNC(C3)CCC4=CC=CC=N4.Cl.Cl

InChI

InChI=1S/C23H28N4O3S2.2ClH/c1-3-19-20(14-16(2)26-23(19)28)21-9-10-22(31-21)32(29,30)27-13-12-25-18(15-27)8-7-17-6-4-5-11-24-17;;/h4-6,9-11,14,18,25H,3,7-8,12-13,15H2,1-2H3,(H,26,28);2*1H