6-ethylsulfonyl-4-[2-[2-(5-methyl-1-phenyl-pyrazol-4-yl)carbonylpyrazolidin-1-yl]-2-oxidanylidene-ethyl]-1,4-benzoxazin-3-one

Systemtic Name: 6-ethylsulfonyl-4-[2-[2-(5-methyl-1-phenyl-pyrazol-4-yl)carbonylpyrazolidin-1-yl]-2-oxidanylidene-ethyl]-1,4-benzoxazin-3-one Openeye Name: 6-ethylsulfonyl-4-[2-[2-(5-methyl-1-phenyl-pyrazole-4-carbonyl)pyrazolidin-1-yl]-2-oxo-ethyl]-1,4-benzoxazin-3-one CAS Name: 6-ethylsulfonyl-4-[2-[2-[(5-methyl-1-phenyl-4-pyrazolyl)-oxomethyl]-1-pyrazolidinyl]-2-oxoethyl]-1,4-benzoxazin-3-one IUPAC Name: 6-ethylsulfonyl-4-[2-[2-(5-methyl-1-phenylpyrazole-4-carbonyl)pyrazolidin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one Traditional Name: 6-esyl-4-[2-keto-2-[2-(5-methyl-1-phenyl-pyrazole-4-carbonyl)pyrazolidin-1-yl]ethyl]-1,4-benzoxazin-3-one Formula: C26H27N5O6S MolecularWeight: 537.58748

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)OCC(=O)N2CC(=O)N3CCCN3C(=O)C4=C(N(N=C4)C5=CC=CC=C5)C

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)OCC(=O)N2CC(=O)N3CCCN3C(=O)C4=C(N(N=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C26H27N5O6S/c1-3-38(35,36)20-10-11-23-22(14-20)28(25(33)17-37-23)16-24(32)29-12-7-13-30(29)26(34)21-15-27-31(18(21)2)19-8-5-4-6-9-19/h4-6,8-11,14-15H,3,7,12-13,16-17H2,1-2H3