3-azanyl-N-[1-[2-fluoranyl-4-(2-methylsulfonylphenyl)phenyl]-2-oxidanylidene-piperidin-3-yl]-1,2-benzoxazole-5-sulfonamide

Systemtic Name: 3-azanyl-N-[1-[2-fluoranyl-4-(2-methylsulfonylphenyl)phenyl]-2-oxidanylidene-piperidin-3-yl]-1,2-benzoxazole-5-sulfonamide Openeye Name: 3-amino-N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxo-3-piperidyl]-1,2-benzoxazole-5-sulfonamide CAS Name: 3-amino-N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxo-3-piperidinyl]-1,2-benzoxazole-5-sulfonamide IUPAC Name: 3-amino-N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-1,2-benzoxazole-5-sulfonamide Traditional Name: 3-amino-N-[1-[2-fluoro-4-(2-mesylphenyl)phenyl]-2-keto-3-piperidyl]indoxazene-5-sulfonamide Formula: C25H23FN4O6S2 MolecularWeight: 558.601723

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C2=CC(=C(C=C2)N3CCCC(C3=O)NS(=O)(=O)C4=CC5=C(C=C4)ON=C5N)F

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C2=CC(=C(C=C2)N3CCCC(C3=O)NS(=O)(=O)C4=CC5=C(C=C4)ON=C5N)F

InChI

InChI=1S/C25H23FN4O6S2/c1-37(32,33)23-7-3-2-5-17(23)15-8-10-21(19(26)13-15)30-12-4-6-20(25(30)31)29-38(34,35)16-9-11-22-18(14-16)24(27)28-36-22/h2-3,5,7-11,13-14,20,29H,4,6,12H2,1H3,(H2,27,28)