4-[4-[6-(4-propan-2-ylpiperazin-1-yl)pyridin-3-yl]phenyl]sulfonylthiomorpholine

Systemtic Name: 4-[4-[6-(4-propan-2-ylpiperazin-1-yl)pyridin-3-yl]phenyl]sulfonylthiomorpholine Openeye Name: 4-[4-[6-(4-isopropylpiperazin-1-yl)-3-pyridyl]phenyl]sulfonylthiomorpholine CAS Name: 4-[4-[6-(4-propan-2-yl-1-piperazinyl)-3-pyridinyl]phenyl]sulfonylthiomorpholine IUPAC Name: 4-[4-[6-(4-propan-2-ylpiperazin-1-yl)pyridin-3-yl]phenyl]sulfonylthiomorpholine Traditional Name: 4-[4-[6-(4-isopropylpiperazino)-3-pyridyl]phenyl]sulfonylthiomorpholine Formula: C22H30N4O2S2 MolecularWeight: 446.6292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCN(CC1)C2=NC=C(C=C2)C3=CC=C(C=C3)S(=O)(=O)N4CCSCC4

Isomeric SMILES

CC(C)N1CCN(CC1)C2=NC=C(C=C2)C3=CC=C(C=C3)S(=O)(=O)N4CCSCC4

InChI

InChI=1S/C22H30N4O2S2/c1-18(2)24-9-11-25(12-10-24)22-8-5-20(17-23-22)19-3-6-21(7-4-19)30(27,28)26-13-15-29-16-14-26/h3-8,17-18H,9-16H2,1-2H3