5-[4-[2-(4-methyl-3-methylsulfonyl-6-phenyl-pyridin-2-yl)sulfanylethyl]piperazin-1-yl]-2,3-dihydro-1,4-benzodioxine-8-carbonitrile

Systemtic Name: 5-[4-[2-(4-methyl-3-methylsulfonyl-6-phenyl-pyridin-2-yl)sulfanylethyl]piperazin-1-yl]-2,3-dihydro-1,4-benzodioxine-8-carbonitrile Openeye Name: 5-[4-[2-[(4-methyl-3-methylsulfonyl-6-phenyl-2-pyridyl)sulfanyl]ethyl]piperazin-1-yl]-2,3-dihydro-1,4-benzodioxine-8-carbonitrile CAS Name: 5-[4-[2-[(4-methyl-3-methylsulfonyl-6-phenyl-2-pyridinyl)thio]ethyl]-1-piperazinyl]-2,3-dihydro-1,4-benzodioxin-8-carbonitrile IUPAC Name: 5-[4-[2-(4-methyl-3-methylsulfonyl-6-phenylpyridin-2-yl)sulfanylethyl]piperazin-1-yl]-2,3-dihydro-1,4-benzodioxine-8-carbonitrile Traditional Name: 5-[4-[2-[(3-mesyl-4-methyl-6-phenyl-2-pyridyl)thio]ethyl]piperazino]-2,3-dihydro-1,4-benzodioxin-8-carbonitrile Formula: C28H30N4O4S2 MolecularWeight: 550.6922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1S(=O)(=O)C)SCCN2CCN(CC2)C3=C4C(=C(C=C3)C#N)OCCO4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=NC(=C1S(=O)(=O)C)SCCN2CCN(CC2)C3=C4C(=C(C=C3)C#N)OCCO4)C5=CC=CC=C5

InChI

InChI=1S/C28H30N4O4S2/c1-20-18-23(21-6-4-3-5-7-21)30-28(27(20)38(2,33)34)37-17-14-31-10-12-32(13-11-31)24-9-8-22(19-29)25-26(24)36-16-15-35-25/h3-9,18H,10-17H2,1-2H3