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

Systemtic Name: 4-[2-[2-(2-methylsulfonylphenyl)carbonylpyrazolidin-1-yl]-2-oxidanylidene-ethyl]-1,4-benzoxazin-3-one Openeye Name: 4-[2-[2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]-2-oxo-ethyl]-1,4-benzoxazin-3-one CAS Name: 4-[2-[2-[(2-methylsulfonylphenyl)-oxomethyl]-1-pyrazolidinyl]-2-oxoethyl]-1,4-benzoxazin-3-one IUPAC Name: 4-[2-[2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one Traditional Name: 4-[2-keto-2-[2-(2-mesylbenzoyl)pyrazolidin-1-yl]ethyl]-1,4-benzoxazin-3-one Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C(=O)N2CCCN2C(=O)CN3C(=O)COC4=CC=CC=C43

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C(=O)N2CCCN2C(=O)CN3C(=O)COC4=CC=CC=C43

InChI

InChI=1S/C21H21N3O6S/c1-31(28,29)18-10-5-2-7-15(18)21(27)24-12-6-11-23(24)19(25)13-22-16-8-3-4-9-17(16)30-14-20(22)26/h2-5,7-10H,6,11-14H2,1H3