N-(3-fluoranyl-4-methoxy-phenyl)-4-[(3-oxidanylidene-1,4-benzoxazin-4-yl)methyl]-N-propylsulfonyl-benzamide

Systemtic Name: N-(3-fluoranyl-4-methoxy-phenyl)-4-[(3-oxidanylidene-1,4-benzoxazin-4-yl)methyl]-N-propylsulfonyl-benzamide Openeye Name: N-(3-fluoro-4-methoxy-phenyl)-4-[(3-oxo-1,4-benzoxazin-4-yl)methyl]-N-propylsulfonyl-benzamide CAS Name: N-(3-fluoro-4-methoxyphenyl)-4-[(3-oxo-1,4-benzoxazin-4-yl)methyl]-N-propylsulfonylbenzamide IUPAC Name: N-(3-fluoro-4-methoxyphenyl)-4-[(3-oxo-1,4-benzoxazin-4-yl)methyl]-N-propylsulfonylbenzamide Traditional Name: N-(3-fluoro-4-methoxy-phenyl)-4-[(3-keto-1,4-benzoxazin-4-yl)methyl]-N-propylsulfonyl-benzamide Formula: C26H25FN2O6S MolecularWeight: 512.549903

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N(C1=CC(=C(C=C1)OC)F)C(=O)C2=CC=C(C=C2)CN3C(=O)COC4=CC=CC=C43

Isomeric SMILES

CCCS(=O)(=O)N(C1=CC(=C(C=C1)OC)F)C(=O)C2=CC=C(C=C2)CN3C(=O)COC4=CC=CC=C43

InChI

InChI=1S/C26H25FN2O6S/c1-3-14-36(32,33)29(20-12-13-23(34-2)21(27)15-20)26(31)19-10-8-18(9-11-19)16-28-22-6-4-5-7-24(22)35-17-25(28)30/h4-13,15H,3,14,16-17H2,1-2H3