6-[2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]propanoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[1-oxo-2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]propyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(5-piperidinosulfonyl-2-pyridyl)thio]propanoyl]-4H-1,4-benzoxazin-3-one Formula: C21H23N3O5S2 MolecularWeight: 461.55442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2)SC3=NC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2)SC3=NC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C21H23N3O5S2/c1-14(21(26)15-5-7-18-17(11-15)23-19(25)13-29-18)30-20-8-6-16(12-22-20)31(27,28)24-9-3-2-4-10-24/h5-8,11-12,14H,2-4,9-10,13H2,1H3,(H,23,25)