4-[2-[2-(2,6-dimethoxypyridin-3-yl)carbonylpyrazolidin-1-yl]-2-oxidanylidene-ethyl]-6-ethylsulfonyl-1,4-benzoxazin-3-one

Systemtic Name: 4-[2-[2-(2,6-dimethoxypyridin-3-yl)carbonylpyrazolidin-1-yl]-2-oxidanylidene-ethyl]-6-ethylsulfonyl-1,4-benzoxazin-3-one Openeye Name: 4-[2-[2-(2,6-dimethoxypyridine-3-carbonyl)pyrazolidin-1-yl]-2-oxo-ethyl]-6-ethylsulfonyl-1,4-benzoxazin-3-one CAS Name: 4-[2-[2-[(2,6-dimethoxy-3-pyridinyl)-oxomethyl]-1-pyrazolidinyl]-2-oxoethyl]-6-ethylsulfonyl-1,4-benzoxazin-3-one IUPAC Name: 4-[2-[2-(2,6-dimethoxypyridine-3-carbonyl)pyrazolidin-1-yl]-2-oxoethyl]-6-ethylsulfonyl-1,4-benzoxazin-3-one Traditional Name: 4-[2-[2-(2,6-dimethoxynicotinoyl)pyrazolidin-1-yl]-2-keto-ethyl]-6-esyl-1,4-benzoxazin-3-one Formula: C23H26N4O8S MolecularWeight: 518.53954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)OCC(=O)N2CC(=O)N3CCCN3C(=O)C4=C(N=C(C=C4)OC)OC

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)OCC(=O)N2CC(=O)N3CCCN3C(=O)C4=C(N=C(C=C4)OC)OC

InChI

InChI=1S/C23H26N4O8S/c1-4-36(31,32)15-6-8-18-17(12-15)25(21(29)14-35-18)13-20(28)26-10-5-11-27(26)23(30)16-7-9-19(33-2)24-22(16)34-3/h6-9,12H,4-5,10-11,13-14H2,1-3H3