6-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one CAS Name: 6-[[2-(2,5-dimethoxyphenyl)-1-pyrrolidinyl]sulfonyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-(2,5-dimethoxyphenyl)pyrrolidino]sulfonyl-4H-1,4-benzoxazin-3-one Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2CCCN2S(=O)(=O)C3=CC4=C(C=C3)OCC(=O)N4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2CCCN2S(=O)(=O)C3=CC4=C(C=C3)OCC(=O)N4

InChI

InChI=1S/C20H22N2O6S/c1-26-13-5-7-18(27-2)15(10-13)17-4-3-9-22(17)29(24,25)14-6-8-19-16(11-14)21-20(23)12-28-19/h5-8,10-11,17H,3-4,9,12H2,1-2H3,(H,21,23)