CHEBI:128705 - N-[[(4R,5S)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-fluoro-N-methylbenzenesulfonamide

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ChEBI Name N-[[(4R,5S)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-fluoro-N-methylbenzenesulfonamide
ChEBI ID CHEBI:128705
Stars This entity has been manually annotated by a third party.
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Formula C26H33FN2O6S2
Net Charge 0
Average Mass 552.682
Monoisotopic Mass 552.17641
InChI InChI=1S/C26H33FN2O6S2/c1-18-15-29(19(2)17-30)37(33,34)26-13-8-21(20-6-4-5-7-20)14-24(26)35-25(18)16-28(3)36(31,32)23-11-9-22(27)10-12-23/h6,8-14,18-19,25,30H,4-5,7,15-17H2,1-3H3/t18-,19-,25-/m1/s1
InChIKey CZHSEBKISOBDGL-MPCDZSKCSA-N
SMILES C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CCCC3)O[C@@H]1CN(C)S(=O)(=O)C4=CC=C(C=C4)F)[C@H](C)CO
ChEBI Ontology
Outgoing N-[[(4R,5S)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-fluoro-N-methylbenzenesulfonamide (CHEBI:128705) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-40259 LINCS
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